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 561–640 of 1,285 · formula C5–C8 · page 8/17
| Name | CAS | Formula | Slug |
|---|---|---|---|
| 4'-Hydroxyacetophenone | 99-93-4 | C8H8O2 | 4-hydroxyacetophenone |
| 5-(2-Methylthioethyl)hydantoin | 13253-44-6 | C6H10N2O2S | 5-2-methylthioethylhydantoin |
| 5-Amino-1-pentanol | 2508-29-4 | C5H13NO | 5-amino-1-pentanol |
| 5-Amino-m-xylene | 108-69-0 | C8H11N | 5-amino-m-xylene |
| 5-Aminoindole | 5192-03-0 | C8H8N2 | 5-aminoindole |
| 5-azacytidine | 320-67-2 | C8H12N4O5 | 5-azacytidine |
| 5-Benzimidazolecarboxylic acid | 15788-16-6 | C8H6N2O2 | 5-benzimidazolecarboxylic-acid |
| 5-Bromo-2-chloropyridine | 53939-30-3 | C5H3BrClN | 5-bromo-2-chloropyridine |
| 5-Bromo-2-fluorobenzotrifluoride | 393-37-3 | C7H3BrF4 | 5-bromo-2-fluorobenzotrifluoride |
| 5-Bromo-2-methoxybenzaldehyde | 25016-01-7 | C8H7BrO2 | 5-bromo-2-methoxybenzaldehyde |
| 5-Bromo-2-methoxybenzyl alcohol | 80866-82-6 | C8H9BrO2 | 5-bromo-2-methoxybenzyl-alcohol |
| 5-Bromo-2-methylpyridine | 3430-13-5 | C6H6BrN | 5-bromo-2-methylpyridine |
| 5-Bromo-6-methylpyridin-2-amine | 42753-71-9 | C6H7BrN2 | 5-bromo-6-methylpyridin-2-amine |
| 5-Bromophthalide | 64169-34-2 | C8H5BrO2 | 5-bromophthalide |
| 5-Bromovaleric acid | 2067-33-6 | C5H9BrO2 | 5-bromovaleric-acid |
| 5-Chloro-1-pentanol | 5259-98-3 | C5H11ClO | 5-chloro-1-pentanol |
| 5-Chloro-2-fluoroaniline | 2106-05-0 | C6H5ClFN | 5-chloro-2-fluoroaniline |
| 5-chloro-2-methoxybenzonitrile | 55877-79-7 | C8H6ClNO | 5-chloro-2-methoxybenzonitrile |
| 5-Chloro-2-pentanone | 5891-21-4 | C5H9ClO | 5-chloro-2-pentanone |
| 5-Chloro-3-hydroxy-2-pyridone | 53233-89-9 | C5H4ClNO2 | 5-chloro-3-hydroxy-2-pyridone |
| 5-Chloro-3-hydroxypyridine | 74115-12-1 | C5H4ClNO | 5-chloro-3-hydroxypyridine |
| 5-Chlorobenzotriazole | 94-97-3 | C6H4ClN3 | 5-chlorobenzotriazole |
| 5-Chloroindole | 17422-32-1 | C8H6ClN | 5-chloroindole |
| 5-Chloromethylfurfural | 1623-88-7 | C6H5ClO2 | 5-chloromethylfurfural |
| 5-Chlororesorcinol dimethyl ether | 7051-16-3 | C8H9ClO2 | 5-chlororesorcinol-dimethyl-ether |
| 5-Chlorovaleric acid | 1119-46-6 | C5H9ClO2 | 5-chlorovaleric-acid |
| 5-Chlorovaleronitrile | 6280-87-1 | C5H8ClN | 5-chlorovaleronitrile |
| 5-Fluoro-2-methoxybenzonitrile | 189628-38-4 | C8H6FNO | 5-fluoro-2-methoxybenzonitrile |
| 5-Formyl-2-thiopheneboronic acid | 4347-33-5 | C5H5BO3S | 5-formyl-2-thiopheneboronic-acid |
| 5-Formylsalicylic acid | 616-76-2 | C8H6O4 | 5-formylsalicylic-acid |
| 5-Hexenal | 764-59-0 | C6H10O | 5-hexenal |
| 5-Hexene-2-one | 109-49-9 | C6H10O | 5-hexene-2-one |
| 5-Hexyn-3-ol | 19780-84-8 | C6H10O | 5-hexyn-3-ol |
| 5-Hydroxy-2-methylpyridine | 1121-78-4 | C6H7NO | 5-hydroxy-2-methylpyridine |
| 5-Hydroxyisophthalic acid | 618-83-7 | C8H6O5 | 5-hydroxyisophthalic-acid |
| 5-Hydroxymethylfurfural | 67-47-0 | C6H6O3 | 5-hydroxymethylfurfural |
| 5-Hydroxymethyluracil | 4433-40-3 | C5H6N2O3 | 5-hydroxymethyluracil |
| 5-Iodovanillin | 5438-36-8 | C8H7IO3 | 5-iodovanillin |
| 5-Isopropylhydantoin | 16935-34-5 | C6H10N2O2 | 5-isopropylhydantoin |
| 5-Methyl-2-Heptanol | 54630-50-1 | C8H18O | 5-methyl-2-heptanol |
| 5-Methyl-2-Hexanone | 110-12-3 | C7H14O | 5-methyl-2-hexanone |
| 5-Methyl-2-Thiophenecarboxaldehyde | 13679-70-4 | C6H6OS | 5-methyl-2-thiophenecarboxaldehyde |
| 5-Methylcytosine | 554-01-8 | C5H7N3O | 5-methylcytosine |
| 5-Methylfurfural | 620-02-0 | C6H6O2 | 5-methylfurfural |
| 5-Methylheptan-3-ol | 18720-65-5 | C8H18O | 5-methylheptan-3-ol |
| 5-Methylheptan-3-one | 541-85-5 | C8H16O | 5-methylheptan-3-one |
| 5-Methylisoxazole-4-carboxylic acid | 42831-50-5 | C5H5NO3 | 5-methylisoxazole-4-carboxylic-acid |
| 5-Methylpyrazine-2-carboxylic Acid | 5521-55-1 | C6H6N2O2 | 5-methylpyrazine-2-carboxylic-acid |
| 5'-Fluoro-2'-hydroxyacetophenone | 394-32-1 | C8H7FO2 | 5-fluoro-2-hydroxyacetophenone |
| 6-acetamido-2-aminohexanoic acid | 1071-49-4 | C8H16N2O3 | 6-acetamido-2-aminohexanoic-acid |
| 6-aminohexanoic acid | 60-32-2 | C6H13NO2 | 6-aminohexanoic-acid |
| 6-Bromo-1-hexanol | 4286-55-9 | C6H13BrO | 6-bromo-1-hexanol |
| 6-Bromo-1-hexene | 2695-47-8 | C6H11Br | 6-bromo-1-hexene |
| 6-Bromo-2-hydroxy-3-methoxybenzaldehyde | 20035-41-0 | C8H7BrO3 | 6-bromo-2-hydroxy-3-methoxybenzaldehyde |
| 6-Bromohexanenitrile | 6621-59-6 | C6H10BrN | 6-bromohexanenitrile |
| 6-Bromohexanoic Acid | 4224-70-8 | C6H11BrO2 | 6-bromohexanoic-acid |
| 6-Bromohexanoyl chloride | 22809-37-6 | C6H10BrClO | 6-bromohexanoyl-chloride |
| 6-Chloro-1-hexanol | 2009-83-8 | C6H13ClO | 6-chloro-1-hexanol |
| 6-Chloro-1-hexyne | 10297-06-0 | C6H9Cl | 6-chloro-1-hexyne |
| 6-Chlorohexanoic acid | 4224-62-8 | C6H11ClO2 | 6-chlorohexanoic-acid |
| 6-Chloroindole | 17422-33-2 | C8H6ClN | 6-chloroindole |
| 6-Chloronicotinamide | 6271-78-9 | C6H5ClN2O | 6-chloronicotinamide |
| 6-Chloronicotinoyl chloride | 58757-38-3 | C6H3Cl2NO | 6-chloronicotinoyl-chloride |
| 6-Chlorooxindole | 56341-37-8 | C8H6ClNO | 6-chlorooxindole |
| 6-Chloropurine | 87-42-3 | C5H3ClN4 | 6-chloropurine |
| 6-deoxy-hexose | 97466-79-0 | C6H12O5 | 6-deoxy-hexose |
| 6-Fluoroindole | 399-51-9 | C8H6FN | 6-fluoroindole |
| 6-Hydroxynicotinic acid | 5006-66-6 | C6H5NO3 | 6-hydroxynicotinic-acid |
| 6-Methoxybenzothiazole | 2942-13-4 | C8H7NOS | 6-methoxybenzothiazole |
| 6-Methyl-2-heptanol | 4730-22-7 | C8H18O | 6-methyl-2-heptanol |
| 6-Methyl-2-heptyne | 51065-64-6 | C8H14 | 6-methyl-2-heptyne |
| 6-Methylheptan-2-one | 928-68-7 | C8H16O | 6-methylheptan-2-one |
| 6-Methylheptan-3-ol | 18720-66-6 | C8H18O | 6-methylheptan-3-ol |
| 6-Methylpyridin-2-ol | 3279-76-3 | C6H7NO | 6-methylpyridin-2-ol |
| 6-o-phosphonohexopyranose | 2071722-98-8 | C6H13O9P | 6-o-phosphonohexopyranose |
| 7-aminodesacetoxycephalosporanic acid | 22252-43-3 | C8H10N2O3S | 7-aminodesacetoxycephalosporanic-acid |
| 7-Fluoroisatin | 317-20-4 | C8H4FNO2 | 7-fluoroisatin |
| 7-Oxabicyclo[2.2.1]heptane | 279-49-2 | C6H10O | 7-oxabicyclo221heptane |
| 8-Bromo-1-octene | 2695-48-9 | C8H15Br | 8-bromo-1-octene |
| 8-Methyl-8-azabicyclo[3.2.1]octan-3-ol | 7432-10-2 | C8H15NO | 8-methyl-8-azabicyclo321octan-3-ol |
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).