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 539 · formula C1–C4 · page 4/7

Name	CAS	Formula	Slug
Cyanoacetic Acid	372-09-8	C3H3NO2	`cyanoacetic-acid`
Cyclobutanol	2919-23-5	C4H8O	`cyclobutanol`
Cyclobutanone	1191-95-3	C4H6O	`cyclobutanone`
Cyclopropanecarboxylic Acid	1759-53-1	C4H6O2	`cyclopropanecarboxylic-acid`
Cyclopropylmethanol	2516-33-8	C4H8O	`cyclopropylmethanol`
Cysteamine	60-23-1	C2H7NS	`cysteamine`
Cysteine sulfinic acid	2381-08-0	C3H7NO4S	`cysteine-sulfinic-acid`
cytosine	71-30-7	C4H5N3O	`cytosine`
Dalapon	75-99-0	C3H4Cl2O2	`dalapon`
Dbcp	96-12-8	C3H5Br2Cl	`dbcp`
diacetyl	431-03-8	C4H6O2	`diacetyl`
Dichloroacetaldehyde	79-02-7	C2H2Cl2O	`dichloroacetaldehyde`
Dichloroacetic Acid	79-43-6	C2H2Cl2O2	`dichloroacetic-acid`
Dichloroacetic anhydride	4124-30-5	C4H2Cl4O3	`dichloroacetic-anhydride`
Dichlorodimethylsilane	75-78-5	C2H6Cl2Si	`dichlorodimethylsilane`
Dichlorofluoroethane	1717-00-6	C2H3Cl2F	`dichlorofluoroethane`
Dichloromethane	75-09-2	CH2Cl2	`dichloromethane`
dichlorvos	62-73-7	C4H7Cl2O4P	`dichlorvos`
Diepoxybutane	1464-53-5	C4H6O2	`diepoxybutane`
Diethanolamine	111-42-2	C4H11NO2	`diethanolamine`
Diethyl Chlorophosphate	814-49-3	C4H10ClO3P	`diethyl-chlorophosphate`
Diethyl Ether	60-29-7	C4H10O	`diethyl-ether`
Diethyl phosphorous acid	123-22-8	C4H11O3P	`diethyl-phosphorous-acid`
Diethyl Selenide	627-53-2	C4H10Se	`diethyl-selenide`
Diethyl sulfate	64-67-5	C4H10O4S	`diethyl-sulfate`
Diethyl sulfide	352-93-2	C4H10S	`diethyl-sulfide`
Diethyl sulfite	623-81-4	C4H10O3S	`diethyl-sulfite`
Diethylamine	109-89-7	C4H11N	`diethylamine`
Diethylenetriamine	111-40-0	C4H13N3	`diethylenetriamine`
Diethylhydroxylamine	3710-84-7	C4H11NO	`diethylhydroxylamine`
Diethylmercury	627-44-1	C4H10Hg	`diethylmercury`
Difluoroacetic Acid	381-73-7	C2H2F2O2	`difluoroacetic-acid`
Difluorotrichloroethane	354-21-2	C2HCl3F2	`difluorotrichloroethane`
Diglycolic acid	110-99-6	C4H6O5	`diglycolic-acid`
dihydrouracil	504-07-4	C4H6N2O2	`dihydrouracil`
Dihydroxyacetone	96-26-4	C3H6O3	`dihydroxyacetone`
Dimercaprol	59-52-9	C3H8OS2	`dimercaprol`
Dimethoxydimethylsilane	1112-39-6	C4H12O2Si	`dimethoxydimethylsilane`
Dimethoxymethane	109-87-5	C3H8O2	`dimethoxymethane`
Dimethyl acetal	534-15-6	C4H10O2	`dimethyl-acetal`
Dimethyl Methylphosphonate	756-79-6	C3H9O3P	`dimethyl-methylphosphonate`
Dimethyl oxalate	553-90-2	C4H6O4	`dimethyl-oxalate`
dimethyl sulfide	75-18-3	C2H6S	`dimethyl-sulfide`
Dimethyl sulfite	616-42-2	C2H6O3S	`dimethyl-sulfite`
Dimethyl sulfone	67-71-0	C2H6O2S	`dimethyl-sulfone`
Dimethyl Sulfoxide	67-68-5	C2H6OS	`dimethyl-sulfoxide`
Dimethylaminoacetonitrile	926-64-7	C4H8N2	`dimethylaminoacetonitrile`
Dimethyldichloromethane	594-20-7	C3H6Cl2	`dimethyldichloromethane`
Dimethylethylene glycol	513-85-9	C4H10O2	`dimethylethylene-glycol`
dimethylglycine	1118-68-9	C4H9NO2	`dimethylglycine`
Dimethylphosphinic acid	3283-12-3	C2H7O2P	`dimethylphosphinic-acid`
dimethylsilyl chloride	1066-35-9	C2H7ClSi	`dimethylsilyl-chloride`
Dimethyltin dichloride	753-73-1	C2H6Cl2Sn	`dimethyltin-dichloride`
Dioxolane	646-06-0	C3H6O2	`dioxolane`
Diphosphoglyceric acid	138-81-8	C3H8O10P2	`diphosphoglyceric-acid`
Dithiodiglycolic acid	505-73-7	C4H6O4S2	`dithiodiglycolic-acid`
Divinyl sulfone	77-77-0	C4H6O2S	`divinyl-sulfone`
Dl-Alanine	1222-66-8	C3H7NO2	`dl-alanine`
DL-Asparagine	3130-87-8	C4H8N2O3	`dl-asparagine`
Dl-Cysteic Acid	13100-82-8	C3H7NO5S	`dl-cysteic-acid`
DL-Cysteine	3374-22-9	C3H7NO2S	`dl-cysteine`
DL-Homocysteine	454-29-5	C4H9NO2S	`dl-homocysteine`
DL-Homoserine	1927-25-9	C4H9NO3	`dl-homoserine`
dl-O-Phosphoserine	17885-08-4	C3H8NO6P	`dl-o-phosphoserine`
DL-Serine	302-84-1	C3H7NO3	`dl-serine`
Epibromohydrin	3132-64-7	C3H5BrO	`epibromohydrin`
Epichlorohydrin	106-89-8	C3H5ClO	`epichlorohydrin`
Eprodisate	21668-77-9	C3H8O6S2	`eprodisate`
ethane-1,2-dithiol	814-67-5	C3H8S2	`ethane-1-2-dithiol`
Ethanol	64-17-5	C2H6O	`ethanol`
Ethanolamine	141-43-5	C2H7NO	`ethanolamine`
Ethoxyacetic Acid	627-03-2	C4H8O3	`ethoxyacetic-acid`
Ethoxyflurane	310-71-4	C4H6ClF3O	`ethoxyflurane`
Ethyl Acetate	141-78-6	C4H8O2	`ethyl-acetate`
Ethyl bromoacetate	105-36-2	C4H7BrO2	`ethyl-bromoacetate`
Ethyl bromodifluoroacetate	667-27-6	C4H5BrF2O2	`ethyl-bromodifluoroacetate`
Ethyl carbazate	4114-31-2	C3H8N2O2	`ethyl-carbazate`
Ethyl Chloroacetate	105-39-5	C4H7ClO2	`ethyl-chloroacetate`
Ethyl chlorodifluoroacetate	383-62-0	C4H5ClF2O2	`ethyl-chlorodifluoroacetate`
Ethyl chlorofluoroacetate	401-56-9	C4H6ClFO2	`ethyl-chlorofluoroacetate`

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).