NMR Compound Spectrum Catalog
Experimental ¹H / ¹³C pages for common laboratory compounds. Filter by letter or carbon count, then open a compound for peak tables and stick spectra. Also try ¹H prediction and ¹³C prediction.
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Showing 401–480 of 1,285 · formula C5–C8 · page 6/17
| Name | CAS | Formula | Slug |
|---|---|---|---|
| 3-Methyl-2-thiophenecarboxylic acid | 23806-24-8 | C6H6O2S | 3-methyl-2-thiophenecarboxylic-acid |
| 3-Methyl-2(5H)-furanone | 22122-36-7 | C5H6O2 | 3-methyl-25h-furanone |
| 3-Methyl-3-oxetanemethanol | 3143-02-0 | C5H10O2 | 3-methyl-3-oxetanemethanol |
| 3-Methyl-3-Pentanol | 77-74-7 | C6H14O | 3-methyl-3-pentanol |
| 3-Methyl-4-(methylthio)phenol | 3120-74-9 | C8H10OS | 3-methyl-4-methylthiophenol |
| 3-Methylbenzaldehyde | 620-23-5 | C8H8O | 3-methylbenzaldehyde |
| 3-Methylbenzenethiol | 108-40-7 | C7H8S | 3-methylbenzenethiol |
| 3-Methylbenzoic acid | 99-04-7 | C8H8O2 | 3-methylbenzoic-acid |
| 3-Methylbenzoyl chloride | 1711-06-4 | C8H7ClO | 3-methylbenzoyl-chloride |
| 3-Methylbenzyl Alcohol | 587-03-1 | C8H10O | 3-methylbenzyl-alcohol |
| 3-Methylbenzyl bromide | 620-13-3 | C8H9Br | 3-methylbenzyl-bromide |
| 3-Methylbenzyl chloride | 620-19-9 | C8H9Cl | 3-methylbenzyl-chloride |
| 3-Methylglutaric Acid | 626-51-7 | C6H10O4 | 3-methylglutaric-acid |
| 3-Methylpyridine | 108-99-6 | C6H7N | 3-methylpyridine |
| 3-Methylsalicylic acid | 83-40-9 | C8H8O3 | 3-methylsalicylic-acid |
| 3-Methylthio-2-butanone | 53475-15-3 | C5H10OS | 3-methylthio-2-butanone |
| 3-Octyne | 15232-76-5 | C8H14 | 3-octyne |
| 3-Pentanol | 584-02-1 | C5H12O | 3-pentanol |
| 3-Pentanone | 96-22-0 | C5H10O | 3-pentanone |
| 3-Piperidinemethanol | 4606-65-9 | C6H13NO | 3-piperidinemethanol |
| 3-Propoxypropylamine | 16728-59-9 | C6H15NO | 3-propoxypropylamine |
| 3-Pyridinemethanol | 100-55-0 | C6H7NO | 3-pyridinemethanol |
| 3-Pyridinepropanol | 2859-67-8 | C8H11NO | 3-pyridinepropanol |
| 3-Pyrroline-2-carboxylic acid | 3220-74-4 | C5H7NO2 | 3-pyrroline-2-carboxylic-acid |
| 3-Thiopheneacetic acid | 6964-21-2 | C6H6O2S | 3-thiopheneacetic-acid |
| 3-Thiophenecarboxaldehyde | 498-62-4 | C5H4OS | 3-thiophenecarboxaldehyde |
| 3.4-Dichlorobenzene thiol | 5858-17-3 | C6H4Cl2S | 34-dichlorobenzene-thiol |
| 3'-Chloroacetophenone | 99-02-5 | C8H7ClO | 3-chloroacetophenone |
| 3'-Hydroxyacetophenone | 121-71-1 | C8H8O2 | 3-hydroxyacetophenone |
| 4-(2-Aminoethyl)morpholine | 2038-03-1 | C6H14N2O | 4-2-aminoethylmorpholine |
| 4-(Chloroacetyl)catechol | 99-40-1 | C8H7ClO3 | 4-chloroacetylcatechol |
| 4-(Chloromethyl)benzaldehyde | 73291-09-5 | C8H7ClO | 4-chloromethylbenzaldehyde |
| 4-(Chlorosulfonyl)benzoic acid | 10130-89-9 | C7H5ClO4S | 4-chlorosulfonylbenzoic-acid |
| 4-(Diethylamino)-2-butyn-1-ol | 10575-25-4 | C8H15NO | 4-diethylamino-2-butyn-1-ol |
| 4-(Diethylamino)butan-2-one | 3299-38-5 | C8H17NO | 4-diethylaminobutan-2-one |
| 4-(Methylthio)benzaldehyde | 3446-89-7 | C8H8OS | 4-methylthiobenzaldehyde |
| 4-(Methylthio)benzenethiol | 1122-97-0 | C7H8S2 | 4-methylthiobenzenethiol |
| 4-(Trifluoromethoxy)aniline | 461-82-5 | C7H6F3NO | 4-trifluoromethoxyaniline |
| 4-(Trifluoromethoxy)benzenesulfonamide | 1513-45-7 | C7H6F3NO3S | 4-trifluoromethoxybenzenesulfonamide |
| 4-(Trifluoromethyl)benzoyl chloride | 329-15-7 | C8H4ClF3O | 4-trifluoromethylbenzoyl-chloride |
| 4-(Trifluoromethyl)benzyl alcohol | 349-95-1 | C8H7F3O | 4-trifluoromethylbenzyl-alcohol |
| 4-(Trifluoromethyl)benzylamine | 3300-51-4 | C8H8F3N | 4-trifluoromethylbenzylamine |
| 4-(Trifluoromethyl)phenol | 402-45-9 | C7H5F3O | 4-trifluoromethylphenol |
| 4-(Trimethylsilyl)morpholine | 13368-42-8 | C7H17NOSi | 4-trimethylsilylmorpholine |
| 4-Acetamidobenzenesulfonamide | 121-61-9 | C8H10N2O3S | 4-acetamidobenzenesulfonamide |
| 4-Acetamidobutyric acid | 3025-96-5 | C6H11NO3 | 4-acetamidobutyric-acid |
| 4-Acetamidothiophenol | 1126-81-4 | C8H9NOS | 4-acetamidothiophenol |
| 4-Acetylbutyric acid | 3128-06-1 | C6H10O3 | 4-acetylbutyric-acid |
| 4-Amino-2-(trifluoromethyl)benzonitrile | 654-70-6 | C8H5F3N2 | 4-amino-2-trifluoromethylbenzonitrile |
| 4-Amino-3-methylbenzoic acid | 2486-70-6 | C8H9NO2 | 4-amino-3-methylbenzoic-acid |
| 4-Amino-6-chloro-2-methylthiopyrimidine | 1005-38-5 | C5H6ClN3S | 4-amino-6-chloro-2-methylthiopyrimidine |
| 4-Amino-o-xylene | 95-64-7 | C8H11N | 4-amino-o-xylene |
| 4-Aminoacetanilide | 122-80-5 | C8H10N2O | 4-aminoacetanilide |
| 4-Aminobutyraldehyde dimethyl acetal | 19060-15-2 | C6H15NO2 | 4-aminobutyraldehyde-dimethyl-acetal |
| 4-Aminocyclohexanol | 6850-65-3 | C6H13NO | 4-aminocyclohexanol |
| 4-aminophenol | 123-30-8 | C6H7NO | 4-aminophenol |
| 4-Aminoveratrole | 6315-89-5 | C8H11NO2 | 4-aminoveratrole |
| 4-Bromo-1-chloro-2-fluorobenzene | 60811-18-9 | C6H3BrClF | 4-bromo-1-chloro-2-fluorobenzene |
| 4-Bromo-2-chlorobenzoic acid | 59748-90-2 | C7H4BrClO2 | 4-bromo-2-chlorobenzoic-acid |
| 4-Bromo-2-fluorophenol | 2105-94-4 | C6H4BrFO | 4-bromo-2-fluorophenol |
| 4-Bromo-2-methylanisole | 14804-31-0 | C8H9BrO | 4-bromo-2-methylanisole |
| 4-Bromo-m-xylene | 583-70-0 | C8H9Br | 4-bromo-m-xylene |
| 4-Bromoaniline | 106-40-1 | C6H6BrN | 4-bromoaniline |
| 4-Bromobenzohydrazide | 5933-32-4 | C7H7BrN2O | 4-bromobenzohydrazide |
| 4-Bromobenzoic acid | 586-76-5 | C7H5BrO2 | 4-bromobenzoic-acid |
| 4-Bromobenzyl alcohol | 873-75-6 | C7H7BrO | 4-bromobenzyl-alcohol |
| 4-Bromoisophthalic acid | 6939-93-1 | C8H5BrO4 | 4-bromoisophthalic-acid |
| 4-Bromophenacyl bromide | 99-73-0 | C8H6Br2O | 4-bromophenacyl-bromide |
| 4-Bromophenethylamine | 73918-56-6 | C8H10BrN | 4-bromophenethylamine |
| 4-Bromophenol | 106-41-2 | C6H5BrO | 4-bromophenol |
| 4-Bromoresorcinol | 6626-15-9 | C6H5BrO2 | 4-bromoresorcinol |
| 4-Bromoresorcinol dimethyl ether | 17715-69-4 | C8H9BrO2 | 4-bromoresorcinol-dimethyl-ether |
| 4-Bromothiobenzamide | 26197-93-3 | C7H6BrNS | 4-bromothiobenzamide |
| 4-Bromoveratrole | 2859-78-1 | C8H9BrO2 | 4-bromoveratrole |
| 4-Chloro-2-fluoro-1-iodobenzene | 6797-79-1 | C6H3ClFI | 4-chloro-2-fluoro-1-iodobenzene |
| 4-Chloro-m-Phenylenediamine | 5131-60-2 | C6H7ClN2 | 4-chloro-m-phenylenediamine |
| 4-Chloro-n-ethylbenzenamine | 13519-75-0 | C8H10ClN | 4-chloro-n-ethylbenzenamine |
| 4-Chloro-o-xylene | 615-60-1 | C8H9Cl | 4-chloro-o-xylene |
| 4-Chloroaniline | 106-47-8 | C6H6ClN | 4-chloroaniline |
| 4-Chlorobenzonitrile | 623-03-0 | C7H4ClN | 4-chlorobenzonitrile |
References & data sources
- NMRShiftDB2 — open experimental NMR chemical shift database.
- Steinbeck, C.; Kuhn, S. NMRShiftDB — nmrshiftdb.nmr.uni-koeln.de
- Gottlieb, H. E.; Kotlyar, V.; Nudelman, A. NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities. J. Org. Chem. 1997, 62, 7512–7515.
- Fulmer, G. R. et al. NMR Chemical Shifts of Trace Impurities. Organometallics 2010, 29, 2176–2179.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related tools: nmrdb.org (community NMR prediction reference).