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 241–320 of 1,285 · formula C5–C8 · page 4/17

Name	CAS	Formula	Slug
2-Methoxybenzaldehyde	135-02-4	C8H8O2	`2-methoxybenzaldehyde`
2-Methoxybenzoyl chloride	21615-34-9	C8H7ClO2	`2-methoxybenzoyl-chloride`
2-Methoxyethyl acetate	110-49-6	C5H10O3	`2-methoxyethyl-acetate`
2-Methoxyethyl Acrylate	3121-61-7	C6H10O3	`2-methoxyethyl-acrylate`
2-Methoxyphenyl isocyanate	700-87-8	C8H7NO2	`2-methoxyphenyl-isocyanate`
2-Methyl-1-Butene	563-46-2	C5H10	`2-methyl-1-butene`
2-Methyl-1-Heptene	15870-10-7	C8H16	`2-methyl-1-heptene`
2-Methyl-1-Pentene	763-29-1	C6H12	`2-methyl-1-pentene`
2-Methyl-2-Butanethiol	1679-09-0	C5H12S	`2-methyl-2-butanethiol`
2-Methyl-2-Butanol	75-85-4	C5H12O	`2-methyl-2-butanol`
2-Methyl-2-Hexanol	625-23-0	C7H16O	`2-methyl-2-hexanol`
2-Methyl-3-(trifluoromethyl)aniline	54396-44-0	C8H8F3N	`2-methyl-3-trifluoromethylaniline`
2-Methyl-3-buten-1-ol	4516-90-9	C5H10O	`2-methyl-3-buten-1-ol`
2-Methyl-3-Buten-2-Ol	115-18-4	C5H10O	`2-methyl-3-buten-2-ol`
2-Methyl-3-Butenenitrile	16529-56-9	C5H7N	`2-methyl-3-butenenitrile`
2-Methyl-3-Butyn-2-Ol	115-19-5	C5H8O	`2-methyl-3-butyn-2-ol`
2-Methyl-3-Heptanone	2371-19-9	C8H16O	`2-methyl-3-heptanone`
2-Methyl-3-Pentanol	565-67-3	C6H14O	`2-methyl-3-pentanol`
2-Methyl-3-propylpyrazine	15986-80-8	C8H12N2	`2-methyl-3-propylpyrazine`
2-Methyl-4-heptanone	626-33-5	C8H16O	`2-methyl-4-heptanone`
2-Methyl-4-pentenoic acid	1575-74-2	C6H10O2	`2-methyl-4-pentenoic-acid`
2-Methyl-5-vinylpyridine	140-76-1	C8H9N	`2-methyl-5-vinylpyridine`
2-Methylanisole	578-58-5	C8H10O	`2-methylanisole`
2-Methylbenzaldehyde	529-20-4	C8H8O	`2-methylbenzaldehyde`
2-Methylbenzoselenazole	2818-88-4	C8H7NSe	`2-methylbenzoselenazole`
2-Methylbenzothiazole	120-75-2	C8H7NS	`2-methylbenzothiazole`
2-Methylbenzoxazole	95-21-6	C8H7NO	`2-methylbenzoxazole`
2-Methylbenzyl alcohol	89-95-2	C8H10O	`2-methylbenzyl-alcohol`
2-Methylbutanoic acid	116-53-0	C5H10O2	`2-methylbutanoic-acid`
2-Methylbutyraldehyde	96-17-3	C5H10O	`2-methylbutyraldehyde`
2-Methylfuran	534-22-5	C5H6O	`2-methylfuran`
2-Methylglutaric Acid	18069-17-5	C6H10O4	`2-methylglutaric-acid`
2-Methylpentanal	123-15-9	C6H12O	`2-methylpentanal`
2-Methylphenyl isothiocyanate	614-69-7	C8H7NS	`2-methylphenyl-isothiocyanate`
2-Methylpiperidine	109-05-7	C6H13N	`2-methylpiperidine`
2-Methylpropanal diethyl acetal	1741-41-9	C8H18O2	`2-methylpropanal-diethyl-acetal`
2-Methylpyrazine	109-08-0	C5H6N2	`2-methylpyrazine`
2-Methylsuccinic acid	498-21-5	C5H8O4	`2-methylsuccinic-acid`
2-Methyltetrahydrofuran	96-47-9	C5H10O	`2-methyltetrahydrofuran`
2-Methyltetrahydrofuran-3-One	3188-00-9	C5H8O2	`2-methyltetrahydrofuran-3-one`
2-Octanone	111-13-7	C8H16O	`2-octanone`
2-Oxoadipic acid	3184-35-8	C6H8O5	`2-oxoadipic-acid`
2-Oxopentanedioic acid	328-50-7	C5H6O5	`2-oxopentanedioic-acid`
2-Oxopentanoic acid	1821-02-9	C5H8O3	`2-oxopentanoic-acid`
2-Pentanol	6032-29-7	C5H12O	`2-pentanol`
2-Pentanone	107-87-9	C5H10O	`2-pentanone`
2-Phenoxyacetohydrazide	4664-55-5	C8H10N2O2	`2-phenoxyacetohydrazide`
2-Phenoxyethanol	122-99-6	C8H10O2	`2-phenoxyethanol`
2-Phenylacetamide	103-81-1	C8H9NO	`2-phenylacetamide`
2-Phenylethanol	60-12-8	C8H10O	`2-phenylethanol`
2-Phenylglycine	69-91-0	C8H9NO2	`2-phenylglycine`
2-Piperidinemethanol	3433-37-2	C6H13NO	`2-piperidinemethanol`
2-Propyl-2-imidazoline	15450-05-2	C6H12N2	`2-propyl-2-imidazoline`
2-Propylvaleryl chloride	2936-08-5	C8H15ClO	`2-propylvaleryl-chloride`
2-Pyridinesulfonic acid	15103-48-7	C5H5NO3S	`2-pyridinesulfonic-acid`
2-Pyridylhydroxymethanesulfonic acid	3343-41-7	C6H7NO4S	`2-pyridylhydroxymethanesulfonic-acid`
2-Thiophenecarboxylic acid	527-72-0	C5H4O2S	`2-thiophenecarboxylic-acid`
2-Thiopheneethanol	5402-55-1	C6H8OS	`2-thiopheneethanol`
2-Thiophenemethanol	636-72-6	C5H6OS	`2-thiophenemethanol`
2.4-difluoroaniline	367-25-9	C6H5F2N	`24-difluoroaniline`
2'-Bromoacetophenone	2142-69-0	C8H7BrO	`2-bromoacetophenone-2`
2'-Chloroacetanilide	533-17-5	C8H8ClNO	`2-chloroacetanilide`
2'-Chloroacetophenone	2142-68-9	C8H7ClO	`2-chloroacetophenone`
3-(Acetylthio)-2-methylpropanoic acid	33325-40-5	C6H10O3S	`3-acetylthio-2-methylpropanoic-acid`
3-(Acetylthio)propionic acid	41345-70-4	C5H8O3S	`3-acetylthiopropionic-acid`
3-(aminopropyl)ethylenediamine	13531-52-7	C5H15N3	`3-aminopropylethylenediamine`
3-(chloromethyl)heptane	123-04-6	C8H17Cl	`3-chloromethylheptane`
3-(Chloromethyl)pentane	4737-41-1	C6H13Cl	`3-chloromethylpentane`
3-(Diethylamino)propanenitrile	5351-04-2	C7H14N2	`3-diethylaminopropanenitrile`
3-(Dimethylamino)-1-propanol	3179-63-3	C5H13NO	`3-dimethylamino-1-propanol`
3-(Methylthio)benzoic acid	825-99-0	C8H8O2S	`3-methylthiobenzoic-acid`
3-(Trifluoromethoxy)benzonitrile	52771-22-9	C8H4F3NO	`3-trifluoromethoxybenzonitrile`
3-(Trifluoromethyl)benzaldehyde	454-89-7	C8H5F3O	`3-trifluoromethylbenzaldehyde`
3-(Trifluoromethyl)benzoic acid	454-92-2	C8H5F3O2	`3-trifluoromethylbenzoic-acid`
3-(Trifluoromethyl)benzonitrile	368-77-4	C8H4F3N	`3-trifluoromethylbenzonitrile`
3-(Trifluoromethyl)benzoyl chloride	2251-65-2	C8H4ClF3O	`3-trifluoromethylbenzoyl-chloride`
3-(Trifluoromethyl)benzyl bromide	402-23-3	C8H6BrF3	`3-trifluoromethylbenzyl-bromide`
3-(Trifluoromethyl)benzyl chloride	705-29-3	C8H6ClF3	`3-trifluoromethylbenzyl-chloride`
3-(Trifluoromethyl)benzylamine	2740-83-2	C8H8F3N	`3-trifluoromethylbenzylamine`
3-(Trifluoromethyl)benzylic alcohol	349-75-7	C8H7F3O	`3-trifluoromethylbenzylic-alcohol`

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).