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.

Browse All 2593

A–ZA 93 B 92 C 104 D 199 E 103 F 17 G 32 H 53 I 83 J 1 K 3 L 15 M 143 N 101 O 39 P 149 Q 4 R 5 S 37 T 133 U 41 V 30WX 2YZ 1 # 1113

CarbonsC1–C4 539 C5–C8 1285 C9–C12 768 C13–C18 1C19+

Showing 81–160 of 1,285 · formula C5–C8 · page 2/17

Name	CAS	Formula	Slug
1-octanol	111-87-5	C8H18O	`1-octanol`
1-Octyn-3-Ol	818-72-4	C8H14O	`1-octyn-3-ol`
1-Penten-3-Ol	616-25-1	C5H10O	`1-penten-3-ol`
1-Pentene	109-67-1	C5H10	`1-pentene`
1-Pentyn-3-ol	4187-86-4	C5H8O	`1-pentyn-3-ol`
1-Phenylethanamine	98-84-0	C8H11N	`1-phenylethanamine`
1-Vinylimidazole	1072-63-5	C5H6N2	`1-vinylimidazole`
1(2h)-Phthalazinone	119-39-1	C8H6N2O	`12h-phthalazinone`
12-Crown-4	294-93-9	C8H16O4	`12-crown-4`
1H-Pyrrole-2-carbaldehyde	1003-29-8	C5H5NO	`1h-pyrrole-2-carbaldehyde`
2-(1H-Imidazol-1-Yl)Acetic Acid	22884-10-2	C5H6N2O2	`2-1h-imidazol-1-ylacetic-acid`
2-(2-(Dimethylamino)ethoxy)ethanol	1704-62-7	C6H15NO2	`2-2-dimethylaminoethoxyethanol`
2-(2-Chlorophenyl)ethylamine	13078-80-3	C8H10ClN	`2-2-chlorophenylethylamine`
2-(2-Ethoxyethoxy)-2-methylpropane	51422-54-9	C8H18O2	`2-2-ethoxyethoxy-2-methylpropane`
2-(2-Ethoxyethoxy)ethyl Acetate	112-15-2	C8H16O4	`2-2-ethoxyethoxyethyl-acetate`
2-(2-Hydroxyethoxy)phenol	4792-78-3	C8H10O3	`2-2-hydroxyethoxyphenol`
2-(2-Methoxyethoxy)-2-methylpropane	66728-50-5	C7H16O2	`2-2-methoxyethoxy-2-methylpropane`
2-(4-Bromophenyl)ethanol	4654-39-1	C8H9BrO	`2-4-bromophenylethanol`
2-(4-Fluorophenyl)acetic acid	405-50-5	C8H7FO2	`2-4-fluorophenylacetic-acid`
2-(Butylthio)ethanol	5331-37-3	C6H14OS	`2-butylthioethanol`
2-(carbamoylamino)pentanedioic acid	40860-26-2	C6H10N2O5	`2-carbamoylaminopentanedioic-acid`
2-(Chloromethyl)pyridine	4377-33-7	C6H6ClN	`2-chloromethylpyridine`
2-(cyclohexylamino)ethanol	2842-38-8	C8H17NO	`2-cyclohexylaminoethanol`
2-(Diethylamino)ethanol	100-37-8	C6H15NO	`2-diethylaminoethanol`
2-(Dimethylamino)ethyl acetate	1421-89-2	C6H13NO2	`2-dimethylaminoethyl-acetate`
2-(Ethylthio)propane	5145-99-3	C5H12S	`2-ethylthiopropane`
2-(Methylamino)isobutyric acid	2566-34-9	C5H11NO2	`2-methylaminoisobutyric-acid`
2-(Methylthio)benzimidazole	7152-24-1	C8H8N2S	`2-methylthiobenzimidazole`
2-(Methylthio)benzothiazole	615-22-5	C8H7NS2	`2-methylthiobenzothiazole`
2-(Phenylthio)ethanol	699-12-7	C8H10OS	`2-phenylthioethanol`
2-(Piperazin-1-yl)pyrimidine	20980-22-7	C8H12N4	`2-piperazin-1-ylpyrimidine`
2-(propan-2-yloxy)ethan-1-amine	81731-43-3	C5H13NO	`2-propan-2-yloxyethan-1-amine`
2-(tert-Butylamino)ethanol	4620-70-6	C6H15NO	`2-tert-butylaminoethanol`
2-(Trifluoromethoxy)benzonitrile	63968-85-4	C8H4F3NO	`2-trifluoromethoxybenzonitrile`
2-(Trifluoromethoxy)benzyl bromide	198649-68-2	C8H6BrF3O	`2-trifluoromethoxybenzyl-bromide`
2-(Trifluoromethyl)benzylamine	3048-01-9	C8H8F3N	`2-trifluoromethylbenzylamine`
2-(Trifluoromethyl)benzylic alcohol	346-06-5	C8H7F3O	`2-trifluoromethylbenzylic-alcohol`
2-Acetamidoacrylic acid	5429-56-1	C5H7NO3	`2-acetamidoacrylic-acid`
2-Acetamidothiazole	2719-23-5	C5H6N2OS	`2-acetamidothiazole`
2-Acetyl-5-bromothiophene	5370-25-2	C6H5BrOS	`2-acetyl-5-bromothiophene`
2-Acetyl-5-chlorothiophene	6310-09-4	C6H5ClOS	`2-acetyl-5-chlorothiophene`
2-Acetylbutyrolactone	517-23-7	C6H8O3	`2-acetylbutyrolactone`
2-acetylpyridine	10599-70-9	C8H10O2	`2-acetylpyridine`
2-Acetylpyrrole	1072-83-9	C6H7NO	`2-acetylpyrrole`
2-Acetylresorcinol	699-83-2	C8H8O3	`2-acetylresorcinol`
2-Allyloxyethanol	111-45-5	C5H10O2	`2-allyloxyethanol`
2-Amino-1-phenylethanol	7568-93-6	C8H11NO	`2-amino-1-phenylethanol`
2-amino-2-(4-hydroxyphenyl)acetic acid	938-97-6	C8H9NO3	`2-amino-2-4-hydroxyphenylacetic-acid`
2-Amino-3-Hydroxypyridine	16867-03-1	C5H6N2O	`2-amino-3-hydroxypyridine`
2-Amino-3-methoxybenzoic acid	3177-80-8	C8H9NO3	`2-amino-3-methoxybenzoic-acid`
2-Amino-3-methylpentanoic acid	443-79-8	C6H13NO2	`2-amino-3-methylpentanoic-acid`
2-Amino-3-methylpyridine	1603-40-3	C6H8N2	`2-amino-3-methylpyridine`
2-Amino-4-chlorophenol	95-85-2	C6H6ClNO	`2-amino-4-chlorophenol`
2-amino-4-methylpyridine	695-34-1	C6H8N2	`2-amino-4-methylpyridine`
2-Amino-5-(trifluoromethyl)pyridine	74784-70-6	C6H5F3N2	`2-amino-5-trifluoromethylpyridine`
2-Amino-5-bromo-4-methylpyridine	98198-48-2	C6H7BrN2	`2-amino-5-bromo-4-methylpyridine`
2-Amino-5-chlorophenol	28443-50-7	C6H6ClNO	`2-amino-5-chlorophenol`
2-Amino-6-methylpyridine	1824-81-3	C6H8N2	`2-amino-6-methylpyridine`
2-amino-6-methylpyrimidin-4-one	3977-29-5	C5H7N3O	`2-amino-6-methylpyrimidin-4-one`
2-Amino-D-gluconic acid	3646-68-2	C6H13NO6	`2-amino-d-gluconic-acid`
2-Amino-m-xylene	87-62-7	C8H11N	`2-amino-m-xylene`
2-Aminobenzenesulfonic acid	88-21-1	C6H7NO3S	`2-aminobenzenesulfonic-acid`
2-Aminocyclohexanol	6850-38-0	C6H13NO	`2-aminocyclohexanol`
2-Aminoethyldiisopropylamine	121-05-1	C8H20N2	`2-aminoethyldiisopropylamine`
2-Aminohexanedioic acid	542-32-5	C6H11NO4	`2-aminohexanedioic-acid`
2-Aminooctanoic acid	644-90-6	C8H17NO2	`2-aminooctanoic-acid`
2-Aminophenol	95-55-6	C6H7NO	`2-aminophenol`
2-Aminophenol-4-sulfonamide	98-32-8	C6H8N2O3S	`2-aminophenol-4-sulfonamide`
2-Aminopyridine	504-29-0	C5H6N2	`2-aminopyridine`
2-Aminothiophenol	137-07-5	C6H7NS	`2-aminothiophenol`
2-Anilinoethanol	122-98-5	C8H11NO	`2-anilinoethanol`
2-Benzimidazolylurea	24370-25-0	C8H8N4O	`2-benzimidazolylurea`
2-Bromo-3-hydroxypyridine	6602-32-0	C5H4BrNO	`2-bromo-3-hydroxypyridine`
2-bromo-3-methylpyridine	3430-17-9	C6H6BrN	`2-bromo-3-methylpyridine`
2-Bromo-4-fluoroaniline	1003-98-1	C6H5BrFN	`2-bromo-4-fluoroaniline`
2-Bromo-4-fluorophenol	496-69-5	C6H4BrFO	`2-bromo-4-fluorophenol`
2-Bromo-4'-chloroacetophenone	536-38-9	C8H6BrClO	`2-bromo-4-chloroacetophenone`
2-Bromo-5-chloropyridine	40473-01-6	C5H3BrClN	`2-bromo-5-chloropyridine`
2-Bromo-5-fluoropyridine	41404-58-4	C5H3BrFN	`2-bromo-5-fluoropyridine`
2-Bromo-5-iodopyridine	73290-22-9	C5H3BrIN	`2-bromo-5-iodopyridine`

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).