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 1–80 of 93 · letter A · page 1/2

Name	CAS	Formula	Slug
Abbott 31699	23567-67-1	C7H6N4OS	`abbott-31699`
Accelerine	138-89-6	C8H10N2O	`accelerine`
acetaldehyde	75-07-0	C2H4O	`acetaldehyde`
Acetaldehyde di-isobutylacetal	5669-09-0	C10H22O2	`acetaldehyde-di-isobutylacetal`
acetamide	60-35-5	C2H5NO	`acetamide`
acetaminophen	103-90-2	C8H9NO2	`acetaminophen`
acetazolamide	59-66-5	C4H6N4O3S2	`acetazolamide`
Acethydrazide	1068-57-1	C2H6N2O	`acethydrazide`
Acetic Acid	64-19-7	C2H4O2	`acetic-acid`
Acetic thioanhydride	3232-39-1	C4H6O2S	`acetic-thioanhydride`
Acetoacetanilide	102-01-2	C10H11NO2	`acetoacetanilide`
Acetoguanamine	542-02-9	C4H7N5	`acetoguanamine`
Acetone	67-64-1	C3H6O	`acetone`
Acetone Cyanohydrin	75-86-5	C4H7NO	`acetone-cyanohydrin`
Acetone diethyl ketal	126-84-1	C7H16O2	`acetone-diethyl-ketal`
Acetone dimethyl acetal	77-76-9	C5H12O2	`acetone-dimethyl-acetal`
Acetonitrile	75-05-8	C2H3N	`acetonitrile`
Acetonylacetone	110-13-4	C6H10O2	`acetonylacetone`
Acetophenone	98-86-2	C8H8O	`acetophenone`
Acetopiperone	3162-29-6	C9H8O3	`acetopiperone`
Acetosyringone	2478-38-8	C10H12O4	`acetosyringone`
Acetovanillone	498-02-2	C9H10O3	`acetovanillone`
Acetrizoic acid	85-36-9	C9H6I3NO3	`acetrizoic-acid`
Acetyl Iodide	507-02-8	C2H3IO	`acetyl-iodide`
acetyl phosphate	590-54-5	C2H5O5P	`acetyl-phosphate`
Acetylacetaldehyde dimethyl acetal	5436-21-5	C6H12O3	`acetylacetaldehyde-dimethyl-acetal`
Acetylene tetrabromide	79-27-6	C2H2Br4	`acetylene-tetrabromide`
Acetylsalicylic acid methyl ester	580-02-9	C10H10O4	`acetylsalicylic-acid-methyl-ester`
Acrasin	85187-54-8	C10H12N5O6P	`acrasin`
Acrolein	107-02-8	C3H4O	`acrolein`
Acrylamide	79-06-1	C3H5NO	`acrylamide`
Acrylic Acid	79-10-7	C3H4O2	`acrylic-acid`
adamantyl isothiocyanate	4411-26-1	C11H15NS	`adamantyl-isothiocyanate`
adenine	73-24-5	C5H5N5	`adenine`
adipic acid	124-04-9	C6H10O4	`adipic-acid`
agmatine	306-60-5	C5H14N4	`agmatine`
allantoin	97-59-6	C4H6N4O3	`allantoin`
Allergosil	110-04-3	C2H6O6S2	`allergosil`
Allobarbital	52-43-7	C10H12N2O3	`allobarbital`
Allyl acetate	591-87-7	C5H8O2	`allyl-acetate`
Allyl Alcohol	107-18-6	C3H6O	`allyl-alcohol`
Allyl Bromide	106-95-6	C3H5Br	`allyl-bromide`
Allyl chloroacetate	2916-14-5	C5H7ClO2	`allyl-chloroacetate`
Allyl Chloroformate	2937-50-0	C4H5ClO2	`allyl-chloroformate`
Allyl cyclohexyloxyacetate	68901-15-5	C11H18O3	`allyl-cyclohexyloxyacetate`
Allyl Ethyl Carbonate	1469-70-1	C6H10O3	`allyl-ethyl-carbonate`
Allyl Formate	1838-59-1	C4H6O2	`allyl-formate`
Allyl Glycidyl Ether	106-92-3	C6H10O2	`allyl-glycidyl-ether`
Allyl hexanoate	123-68-2	C9H16O2	`allyl-hexanoate`
Allyl Iodide	556-56-9	C3H5I	`allyl-iodide`
Allyl isonicotinate	25635-24-9	C9H9NO2	`allyl-isonicotinate`
Allyl Mercaptan	870-23-5	C3H6S	`allyl-mercaptan`
Allyl methyl carbonate	35466-83-2	C5H8O3	`allyl-methyl-carbonate`
Allyl phenyl sulfone	16212-05-8	C9H10O2S	`allyl-phenyl-sulfone`
Allylcyclohexane	2114-42-3	C9H16	`allylcyclohexane`
Allyltriethoxysilane	2550-04-1	C9H20O3Si	`allyltriethoxysilane`
Allylurea	557-11-9	C4H8N2O	`allylurea`
alpha-Butylene dibromide	533-98-2	C4H8Br2	`alpha-butylene-dibromide`
alpha-D-glucosamine	6490-70-6	C6H13NO5	`alpha-d-glucosamine`
alpha-Hexyl-gamma-butyrolactone	18436-37-8	C10H18O2	`alpha-hexyl-gamma-butyrolactone`
alpha-Hydroxyhippuric acid	16555-77-4	C9H9NO4	`alpha-hydroxyhippuric-acid`
alpha-Methylbenzyl isocyanate	1837-73-6	C9H9NO	`alpha-methylbenzyl-isocyanate`
alpha-Methylstyrene	98-83-9	C9H10	`alpha-methylstyrene`
alpha-Pinene oxide	1686-14-2	C10H16O	`alpha-pinene-oxide`
alpha-Propylcyclohexanemethanol	4352-42-5	C10H20O	`alpha-propylcyclohexanemethanol`
alpha-TERPINEOL	98-55-5	C10H18O	`alpha-terpineol`
alpha-Thujone	546-80-5	C10H16O	`alpha-thujone`
Ametryn	834-12-8	C9H17N5S	`ametryn`
Aminoacetaldehyde diethyl acetal	645-36-3	C6H15NO2	`aminoacetaldehyde-diethyl-acetal`
Aminoacetaldehyde dimethyl acetal	22483-09-6	C4H11NO2	`aminoacetaldehyde-dimethyl-acetal`
Aminohydroquinone dimethyl ether	102-56-7	C8H11NO2	`aminohydroquinone-dimethyl-ether`
aminopyridazine	5469-70-5	C4H5N3	`aminopyridazine`
Aminothiadiazole	4005-51-0	C2H3N3S	`aminothiadiazole`
Ampd	115-69-5	C4H11NO2	`ampd`
Amyl 2-methylvalerate	6297-48-9	C11H22O2	`amyl-2-methylvalerate`
Amyl Acetoacetate	6624-84-6	C9H16O3	`amyl-acetoacetate`
Amyl butyrate	540-18-1	C9H18O2	`amyl-butyrate`
Amyl methyl sulfide	1741-83-9	C6H14S	`amyl-methyl-sulfide`
Amylamine	110-58-7	C5H13N	`amylamine`
an inositol	87-89-8	C6H12O6	`an-inositol`

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).