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 481–539 of 539 · formula C1–C4 · page 7/7

Name	CAS	Formula	Slug
S-methyl-thioglycerol	22551-26-4	C4H10O2S	`s-methyl-thioglycerol`
s-Tetrachloroethane	79-34-5	C2H2Cl4	`s-tetrachloroethane`
s-Trithiane	291-21-4	C3H6S3	`s-trithiane`
sarcosine	107-97-1	C3H7NO2	`sarcosine`
Sec-Butylamine	13952-84-6	C4H11N	`sec-butylamine`
succinic acid	110-15-6	C4H6O4	`succinic-acid`
Succinic dihydrazide	4146-43-4	C4H10N4O2	`succinic-dihydrazide`
Succinonitrile	110-61-2	C4H4N2	`succinonitrile`
Succinyl Chloride	543-20-4	C4H4Cl2O2	`succinyl-chloride`
Sulfoacetic Acid	123-43-3	C2H4O5S	`sulfoacetic-acid`
sym-Dichloroacetone	534-07-6	C3H4Cl2O	`sym-dichloroacetone`
sym-Dimethylthiourea	61805-96-7	C3H8N2S	`sym-dimethylthiourea`
sym-Dimethylurea	96-31-1	C3H8N2O	`sym-dimethylurea`
Sym-glycerol dichlorohydrin	96-23-1	C3H6Cl2O	`sym-glycerol-dichlorohydrin`
Tellurophene	288-08-4	C4H4Te	`tellurophene`
tert-Butanol	75-65-0	C4H10O	`tert-butanol`
tert-Butyl nitrite	540-80-7	C4H9NO2	`tert-butyl-nitrite`
tert-Butylamine	75-64-9	C4H11N	`tert-butylamine`
Tetrachloroacetone	632-21-3	C3H2Cl4O	`tetrachloroacetone`
Tetrahydrofuran	109-99-9	C4H8O	`tetrahydrofuran`
tetrahydrothiophene	110-01-0	C4H8S	`tetrahydrothiophene`
Tetramethylene dibromide	110-52-1	C4H8Br2	`tetramethylene-dibromide`
Tetramethylene dichloride	110-56-5	C4H8Cl2	`tetramethylene-dichloride`
Tetramethylenedithiol	1191-08-8	C4H10S2	`tetramethylenedithiol`
Tetramethylgermanium	865-52-1	C4H12Ge	`tetramethylgermanium`
Thiazolidine-2-carboxylic acid	16310-13-7	C4H7NO2S	`thiazolidine-2-carboxylic-acid`
Thiirane	420-12-2	C2H4S	`thiirane`
Thioacetamide	62-55-5	C2H5NS	`thioacetamide`
thiodiglycol	111-48-8	C4H10O2S	`thiodiglycol`
Thiodiglycolic acid	123-93-3	C4H6O4S	`thiodiglycolic-acid`
thiophen-3-amine	17721-06-1	C4H5NS	`thiophen-3-amine`
Thiophene	110-02-1	C4H4S	`thiophene`
Trichlorfon	52-68-6	C4H8Cl3O4P	`trichlorfon`
Trichloroethyl chloroformate	17341-93-4	C3H2Cl4O2	`trichloroethyl-chloroformate`
Trichloroethylene	79-01-6	C2HCl3	`trichloroethylene`
trichloropyridazine	14161-11-6	C4HCl3N2	`trichloropyridazine`
Trimethoxyboroxine	102-24-9	C3H9B3O6	`trimethoxyboroxine`
Trimethyl Phosphate	512-56-1	C3H9O4P	`trimethyl-phosphate`
Trimethyl Phosphite	121-45-9	C3H9O3P	`trimethyl-phosphite`
trimethylamine	75-50-3	C3H9N	`trimethylamine`
Trimethylene bromide	109-64-8	C3H6Br2	`trimethylene-bromide`
Trimethylene dichloride	142-28-9	C3H6Cl2	`trimethylene-dichloride`
Trimethylene glycol	504-63-2	C3H8O2	`trimethylene-glycol`
Trimethylenediamine	109-76-2	C3H10N2	`trimethylenediamine`
Trimethylsilyl cyanide	7677-24-9	C4H9NSi	`trimethylsilyl-cyanide`
Unii-00qr9xs58s	359-07-9	C2H3BrF2	`unii-00qr9xs58s`
Unii-45n8m9t967	616-21-7	C4H8Cl2	`unii-45n8m9t967`
Unii-F0033k8cxm	3141-27-3	C4H2Br2S	`unii-f0033k8cxm`
Unii-Q79pk8p9bw	10493-44-4	C4H4BrF3	`unii-q79pk8p9bw`
uracil	66-22-8	C4H4N2O2	`uracil`
Urea	57-13-6	CH4N2O	`urea`
urethane	51-79-6	C3H7NO2	`urethane`
Vinyl Acetate	108-05-4	C4H6O2	`vinyl-acetate`
Vinyl Chloride	75-01-4	C2H3Cl	`vinyl-chloride`
Vinyl Formate	692-45-5	C3H4O2	`vinyl-formate`
Vinyl trifluoroacetate	433-28-3	C4H3F3O2	`vinyl-trifluoroacetate`
Vinylene Carbonate	872-36-6	C3H2O3	`vinylene-carbonate`
Vinylidene chloride	75-35-4	C2H2Cl2	`vinylidene-chloride`
Vinyltrichloride	79-00-5	C2H3Cl3	`vinyltrichloride`

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).