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 1281–1360 of 2,593 · all compounds · page 17/33

Name	CAS	Formula	Slug
Butyl Benzenesulfonate	80-44-4	C10H14O3S	`butyl-benzenesulfonate`
Butyl carbamate	592-35-8	C5H11NO2	`butyl-carbamate`
Butyl chloroformate	592-34-7	C5H9ClO2	`butyl-chloroformate`
Butyl ether	142-96-1	C8H18O	`butyl-ether`
Butyl Ethyl Propane Diol (bepg)	115-84-4	C9H20O2	`butyl-ethyl-propane-diol-bepg`
Butyl isonicotinate	13841-66-2	C10H13NO2	`butyl-isonicotinate`
Butyl Methacrylate	97-88-1	C8H14O2	`butyl-methacrylate`
Butyl nicotinate	6938-06-3	C10H13NO2	`butyl-nicotinate`
Butyl nitrite	544-16-1	C4H9NO2	`butyl-nitrite`
butyl picolinate	5340-88-5	C10H13NO2	`butyl-picolinate`
Butyl thioglycolate	10047-28-6	C6H12O2S	`butyl-thioglycolate`
Butylamine	109-73-9	C4H11N	`butylamine`
Butylcyclohexane	1678-93-9	C10H20	`butylcyclohexane`
Butylene carbonate	4437-85-8	C5H8O3	`butylene-carbonate`
Butylparaben	94-26-8	C11H14O3	`butylparaben`
butyraldehyde	123-72-8	C4H8O	`butyraldehyde`
Butyramide	541-35-5	C4H9NO	`butyramide`
Butyric Acid	107-92-6	C4H8O2	`butyric-acid`
cacodylic acid	75-60-5	C2H7AsO2	`cacodylic-acid`
cadaverine	462-94-2	C5H14N2	`cadaverine`
caffeine	58-08-2	C8H10N4O2	`caffeine`
Cambridge id 5156248	26749-93-9	C11H11NO4	`cambridge-id-5156248`
Camphene	79-92-5	C10H16	`camphene`
camphor	76-22-2	C10H16O	`camphor`
cantharidin	56-25-7	C10H12O4	`cantharidin`
Captafol	2425-06-1	C10H9Cl4NO2S	`captafol`
Captan	133-06-2	C9H8Cl3NO2S	`captan`
Carbon Disulfide	75-15-0	CS2	`carbon-disulfide`
Carvone	99-49-0	C10H14O	`carvone`
Carzenide	138-41-0	C7H7NO4S	`carzenide`
Caswell No. 287B	4554-16-9	C3H3Br2N	`caswell-no-287b`
Caswell No. 561	1729-67-5	C4H6Br2O2	`caswell-no-561`
catechol	120-80-9	C6H6O2	`catechol`
Catechol diacetate	635-67-6	C10H10O4	`catechol-diacetate`
cccp	555-60-2	C9H5ClN4	`cccp`
Chelidonic acid	99-32-1	C7H4O6	`chelidonic-acid`
Chinomethionate	2439-01-2	C10H6N2OS2	`chinomethionate`
Chloral	75-87-6	C2HCl3O	`chloral`
Chloraminophenamide	121-30-2	C6H8ClN3O4S2	`chloraminophenamide`
Chlorendic Acid	115-28-6	C9H4Cl6O4	`chlorendic-acid`
Chlorendic Anhydride	115-27-5	C9H2Cl6O3	`chlorendic-anhydride`
Chlorferron	6174-86-3	C10H7ClO3	`chlorferron`
Chloro(chloromethyl)dimethylsilane	1719-57-9	C3H8Cl2Si	`chlorochloromethyldimethylsilane`
Chloroacetaldehyde diethyl acetal	621-62-5	C6H13ClO2	`chloroacetaldehyde-diethyl-acetal`
Chloroacetaldehyde dimethyl acetal	97-97-2	C4H9ClO2	`chloroacetaldehyde-dimethyl-acetal`
chloroacetic acid	79-11-8	C2H3ClO2	`chloroacetic-acid`
Chloroacetic anhydride	541-88-8	C4H4Cl2O3	`chloroacetic-anhydride`
Chloroacetone	78-95-5	C3H5ClO	`chloroacetone`
Chlorobenzene	108-90-7	C6H5Cl	`chlorobenzene`
Chlorobutanol	57-15-8	C4H7Cl3O	`chlorobutanol`
Chlorocyclohexane	542-18-7	C6H11Cl	`chlorocyclohexane`
Chlorodimethyloctylsilane	18162-84-0	C10H23ClSi	`chlorodimethyloctylsilane`
Chlorodimethylphenylsilane	768-33-2	C8H11ClSi	`chlorodimethylphenylsilane`
Chloroethylene carbonate	3967-54-2	C3H3ClO3	`chloroethylene-carbonate`
Chloroform	67-66-3	CHCl3	`chloroform`
Chlorohydroquinone dimethyl ether	2100-42-7	C8H9ClO2	`chlorohydroquinone-dimethyl-ether`
Chloromaleic acid anhydride	96-02-6	C4HClO3	`chloromaleic-acid-anhydride`
Chloromethyl Ethyl Ether	3188-13-4	C3H7ClO	`chloromethyl-ethyl-ether`
Chloromethyl Methyl Ether	107-30-2	C2H5ClO	`chloromethyl-methyl-ether`
Chloromethyl methyl sulfide	2373-51-5	C2H5ClS	`chloromethyl-methyl-sulfide`
Chloroneb	2675-77-6	C8H8Cl2O2	`chloroneb`
Chloroxynil	1891-95-8	C7H3Cl2NO	`chloroxynil`
chlorpyrifos	2921-88-2	C9H11Cl3NO3PS	`chlorpyrifos`
Cinnamaldehyde	104-55-2	C9H8O	`cinnamaldehyde`
citric acid	77-92-9	C6H8O7	`citric-acid`
Citronellal	106-23-0	C10H18O	`citronellal`
clioquinol	130-26-7	C9H5ClINO	`clioquinol`
Collunosol	95-95-4	C6H3Cl3O	`collunosol`
Cosban	2655-14-3	C10H13NO2	`cosban`
coumarin	91-64-5	C9H6O2	`coumarin`
creatine	57-00-1	C4H9N3O2	`creatine`
Creatinephosphate	67-07-2	C4H10N3O5P	`creatinephosphate`
Cumene	98-82-8	C9H12	`cumene`
Cuminol	536-60-7	C10H14O	`cuminol`
Cyanazine	21725-46-2	C9H13ClN6	`cyanazine`
Cyanoacetic Acid	372-09-8	C3H3NO2	`cyanoacetic-acid`
Cyclamic acid	100-88-9	C6H13NO3S	`cyclamic-acid`
Cyclobutanecarboxylic Acid	3721-95-7	C5H8O2	`cyclobutanecarboxylic-acid`
Cyclobutanol	2919-23-5	C4H8O	`cyclobutanol`
Cyclobutanone	1191-95-3	C4H6O	`cyclobutanone`

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).