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 881–960 of 2,593 · all compounds · page 12/33
| Name | CAS | Formula | Slug |
|---|---|---|---|
| 4-Fluoro-2-(trifluoromethyl)benzonitrile | 194853-86-6 | C8H3F4N | 4-fluoro-2-trifluoromethylbenzonitrile |
| 4-Fluoro-3-methoxybenzaldehyde | 128495-46-5 | C8H7FO2 | 4-fluoro-3-methoxybenzaldehyde |
| 4-Fluorobenzoic Acid | 456-22-4 | C7H5FO2 | 4-fluorobenzoic-acid |
| 4-Fluorobenzoyl chloride | 403-43-0 | C7H4ClFO | 4-fluorobenzoyl-chloride |
| 4-Fluorobenzyl chloride | 352-11-4 | C7H6ClF | 4-fluorobenzyl-chloride |
| 4-Fluorophenethyl alcohol | 7589-27-7 | C8H9FO | 4-fluorophenethyl-alcohol |
| 4-Fluorophenyl isocyanate | 1195-45-5 | C7H4FNO | 4-fluorophenyl-isocyanate |
| 4-Fluorophenylacetonitrile | 459-22-3 | C8H6FN | 4-fluorophenylacetonitrile |
| 4-Fluoropropiophenone | 456-03-1 | C9H9FO | 4-fluoropropiophenone |
| 4-Formylbenzoic Acid | 619-66-9 | C8H6O3 | 4-formylbenzoic-acid |
| 4-Guanidinobutyric acid | 463-00-3 | C5H11N3O2 | 4-guanidinobutyric-acid |
| 4-Heptanol | 589-55-9 | C7H16O | 4-heptanol |
| 4-Hydroxy-2-methylindole | 35320-67-3 | C9H9NO | 4-hydroxy-2-methylindole |
| 4-Hydroxy-2(1H)-pyridinone | 626-03-9 | C5H5NO2 | 4-hydroxy-21h-pyridinone |
| 4-Hydroxy-3-methoxyphenylacetonitrile | 4468-59-1 | C9H9NO2 | 4-hydroxy-3-methoxyphenylacetonitrile |
| 4-Hydroxy-3-methylbutan-2-one | 3393-64-4 | C5H10O2 | 4-hydroxy-3-methylbutan-2-one |
| 4-Hydroxy-6-(trifluoromethyl)pyrimidine | 1546-78-7 | C5H3F3N2O | 4-hydroxy-6-trifluoromethylpyrimidine |
| 4-Hydroxybenzeneacetamide | 17194-82-0 | C8H9NO2 | 4-hydroxybenzeneacetamide |
| 4-Hydroxybenzenesulfonamide | 1576-43-8 | C6H7NO3S | 4-hydroxybenzenesulfonamide |
| 4-Hydroxybenzyl cyanide | 14191-95-8 | C8H7NO | 4-hydroxybenzyl-cyanide |
| 4-Hydroxyhexan-3-one | 4984-85-4 | C6H12O2 | 4-hydroxyhexan-3-one |
| 4-Hydroxyisophthalaldehyde | 3328-70-9 | C8H6O3 | 4-hydroxyisophthalaldehyde |
| 4-Hydroxymethylpyridine | 586-95-8 | C6H7NO | 4-hydroxymethylpyridine |
| 4-hydroxyphenylacetic acid | 156-38-7 | C8H8O3 | 4-hydroxyphenylacetic-acid |
| 4-hydroxypyrrolidine | 40499-83-0 | C4H9NO | 4-hydroxypyrrolidine |
| 4-hydroxypyrrolidine-2-carboxylic acid | 6912-67-0 | C5H9NO3 | 4-hydroxypyrrolidine-2-carboxylic-acid |
| 4-Hydroxyquinazoline | 491-36-1 | C8H6N2O | 4-hydroxyquinazoline |
| 4-Iodoaniline | 540-37-4 | C6H6IN | 4-iodoaniline |
| 4-Iodobenzotrifluoride | 455-13-0 | C7H4F3I | 4-iodobenzotrifluoride |
| 4-Iodophenoxyacetic acid | 1878-94-0 | C8H7IO3 | 4-iodophenoxyacetic-acid |
| 4-Iodopyrazole | 3469-69-0 | C3H3IN2 | 4-iodopyrazole |
| 4-Isopropyl-3-methylphenol | 3228-02-2 | C10H14O | 4-isopropyl-3-methylphenol |
| 4-Isopropylanisole | 4132-48-3 | C10H14O | 4-isopropylanisole |
| 4-isopropylbenzaldehyde | 122-03-2 | C10H12O | 4-isopropylbenzaldehyde |
| 4-Isopropylbenzoic acid | 536-66-3 | C10H12O2 | 4-isopropylbenzoic-acid |
| 4-Isopropylcyclohexanecarboxylic acid | 7077-05-6 | C10H18O2 | 4-isopropylcyclohexanecarboxylic-acid |
| 4-Isopropylphenylboronic acid | 16152-51-5 | C9H13BO2 | 4-isopropylphenylboronic-acid |
| 4-Mercaptobenzoic acid | 1074-36-8 | C7H6O2S | 4-mercaptobenzoic-acid |
| 4-Methoxy-3-methylbenzaldehyde | 32723-67-4 | C9H10O2 | 4-methoxy-3-methylbenzaldehyde |
| 4-Methoxy-4-oxobutanoic acid | 3878-55-5 | C5H8O4 | 4-methoxy-4-oxobutanoic-acid |
| 4-Methoxy-m-Xylene | 6738-23-4 | C9H12O | 4-methoxy-m-xylene |
| 4-Methoxybenzaldehyde | 123-11-5 | C8H8O2 | 4-methoxybenzaldehyde |
| 4-Methoxybenzenethiol | 696-63-9 | C7H8OS | 4-methoxybenzenethiol |
| 4-Methoxybenzoic Acid | 100-09-4 | C8H8O3 | 4-methoxybenzoic-acid |
| 4-Methoxybenzonitrile | 874-90-8 | C8H7NO | 4-methoxybenzonitrile |
| 4-Methoxybenzoyl chloride | 100-07-2 | C8H7ClO2 | 4-methoxybenzoyl-chloride |
| 4-Methoxybenzoylacetonitrile | 3672-47-7 | C10H9NO2 | 4-methoxybenzoylacetonitrile |
| 4-Methoxyindole | 4837-90-5 | C9H9NO | 4-methoxyindole |
| 4-Methoxyphenyl isocyanate | 5416-93-3 | C8H7NO2 | 4-methoxyphenyl-isocyanate |
| 4-Methoxythiobenzamide | 2362-64-3 | C8H9NOS | 4-methoxythiobenzamide |
| 4-Methyl-1-Pentanol | 626-89-1 | C6H14O | 4-methyl-1-pentanol |
| 4-Methyl-1-Pentene | 691-37-2 | C6H12 | 4-methyl-1-pentene |
| 4-Methyl-1-pentyne | 7154-75-8 | C6H10 | 4-methyl-1-pentyne |
| 4-Methyl-1-tetralone | 19832-98-5 | C11H12O | 4-methyl-1-tetralone |
| 4-methyl-2-oxopentanoic acid | 816-66-0 | C6H10O3 | 4-methyl-2-oxopentanoic-acid |
| 4-Methyl-2-pentanone | 108-10-1 | C6H12O | 4-methyl-2-pentanone |
| 4-Methyl-2-Pentyl Acetate | 108-84-9 | C8H16O2 | 4-methyl-2-pentyl-acetate |
| 4-Methyl-5-Thiazoleethanol | 137-00-8 | C6H9NOS | 4-methyl-5-thiazoleethanol |
| 4-Methylbenzoic acid | 99-94-5 | C8H8O2 | 4-methylbenzoic-acid |
| 4-Methylbenzoyl chloride | 874-60-2 | C8H7ClO | 4-methylbenzoyl-chloride |
| 4-Methylbenzyl alcohol | 589-18-4 | C8H10O | 4-methylbenzyl-alcohol |
| 4-Methylbenzyl cyanide | 2947-61-7 | C9H9N | 4-methylbenzyl-cyanide |
| 4-Methylheptane | 589-53-7 | C8H18 | 4-methylheptane |
| 4-Methylimidazole | 822-36-6 | C4H6N2 | 4-methylimidazole |
| 4-Methylnonane | 17301-94-9 | C10H22 | 4-methylnonane |
| 4-Methylpiperidine | 626-58-4 | C6H13N | 4-methylpiperidine |
| 4-Methylpyridine | 108-89-4 | C6H7N | 4-methylpyridine |
| 4-Methylpyrimidin-2-ol HCl | 15231-48-8 | C5H6N2O | 4-methylpyrimidin-2-ol-hcl |
| 4-Methylpyrimidine | 3438-46-8 | C5H6N2 | 4-methylpyrimidine |
| 4-Methylthiazole | 693-95-8 | C4H5NS | 4-methylthiazole |
| 4-Methylvaleric acid | 646-07-1 | C6H12O2 | 4-methylvaleric-acid |
| 4-Morpholineethanesulfonic acid | 4432-31-9 | C6H13NO4S | 4-morpholineethanesulfonic-acid |
| 4-Nonanone | 4485-09-0 | C9H18O | 4-nonanone |
| 4-Penten-2-Ol | 625-31-0 | C5H10O | 4-penten-2-ol |
| 4-Pentenoic Acid | 591-80-0 | C5H8O2 | 4-pentenoic-acid |
| 4-Pentenyl isothiocyanate | 18060-79-2 | C6H9NS | 4-pentenyl-isothiocyanate |
| 4-Phenoxybutyric Acid | 6303-58-8 | C10H12O3 | 4-phenoxybutyric-acid |
| 4-Phenyl-1-butanol | 3360-41-6 | C10H14O | 4-phenyl-1-butanol |
| 4-Phenyl-1-butyne | 16520-62-0 | C10H10 | 4-phenyl-1-butyne |
| 4-Phenylbut-3-yn-1-ol | 10229-11-5 | C10H10O | 4-phenylbut-3-yn-1-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).