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 321–400 of 539 · formula C1–C4 · page 5/7

Name	CAS	Formula	Slug
Ethyl Dichloroacetate	535-15-9	C4H6Cl2O2	`ethyl-dichloroacetate`
Ethyl Difluoroacetate	454-31-9	C4H6F2O2	`ethyl-difluoroacetate`
Ethyl Fluoroacetate	459-72-3	C4H7FO2	`ethyl-fluoroacetate`
Ethyl Formate	109-94-4	C3H6O2	`ethyl-formate`
Ethyl glycinate	459-73-4	C4H9NO2	`ethyl-glycinate`
Ethyl glycolate	623-50-7	C4H8O3	`ethyl-glycolate`
Ethyl Thiocyanate	542-90-5	C3H5NS	`ethyl-thiocyanate`
Ethyl Trichloroacetate	515-84-4	C4H5Cl3O2	`ethyl-trichloroacetate`
Ethylene dichloride	107-06-2	C2H4Cl2	`ethylene-dichloride`
Ethylene Glycol	107-21-1	C2H6O2	`ethylene-glycol`
Ethylene glycol diformate	629-15-2	C4H6O4	`ethylene-glycol-diformate`
ethylenediamine	107-15-3	C2H8N2	`ethylenediamine`
Ethylidene chloride	75-34-3	C2H4Cl2	`ethylidene-chloride`
Ethylphosphonic dichloride	1066-50-8	C2H5Cl2OP	`ethylphosphonic-dichloride`
Fireguard 5000	1529-68-6	C4H6Br4	`fireguard-5000`
Flupropanate	756-09-2	C3H2F4O2	`flupropanate`
Flurothyl	333-36-8	C4H4F6O	`flurothyl`
Formamidine	463-52-5	CH4N2	`formamidine`
formic acid	64-18-6	CH2O2	`formic-acid`
Furan	110-00-9	C4H4O	`furan`
gamma-aminobutyric acid	56-12-2	C4H9NO2	`gamma-aminobutyric-acid`
Genetron 132b-B2	75-82-1	C2H2Br2F2	`genetron-132b-b2`
glyceraldehyde	367-47-5	C3H6O3	`glyceraldehyde`
Glyceric Acid	473-81-4	C3H6O4	`glyceric-acid`
glycerol	56-81-5	C3H8O3	`glycerol`
Glycerol tribromohydrin	96-11-7	C3H5Br3	`glycerol-tribromohydrin`
Glycidyl methyl ether	930-37-0	C4H8O2	`glycidyl-methyl-ether`
glycine	56-40-6	C2H5NO2	`glycine`
Glycine Anhydride	106-57-0	C4H6N2O2	`glycine-anhydride`
glycocyamine	352-97-6	C3H7N3O2	`glycocyamine`
glycolaldehyde	141-46-8	C2H4O2	`glycolaldehyde`
glycolic acid	79-14-1	C2H4O3	`glycolic-acid`
Glycylglycine	556-50-3	C4H8N2O3	`glycylglycine`
glyphosate	1071-83-6	C3H8NO5P	`glyphosate`
Glyphosine	2439-99-8	C4H11NO8P2	`glyphosine`
Hcfc-131	359-28-4	C2H2Cl3F	`hcfc-131`
Hexafluoro-tert-butanol	1515-14-6	C4H4F6O	`hexafluoro-tert-butanol`
HFC-245eb	431-31-2	C3H3F5	`hfc-245eb`
Homocysteic acid	1001-13-4	C4H9NO5S	`homocysteic-acid`
Hydantoic acid	462-60-2	C3H6N2O3	`hydantoic-acid`
Hydantoin	461-72-3	C3H4N2O2	`hydantoin`
Hydroxyacetone	116-09-6	C3H6O2	`hydroxyacetone`
hypotaurine	300-84-5	C2H7NO2S	`hypotaurine`
Imidazole	288-32-4	C3H4N2	`imidazole`
imidazolidine-2-thione	96-45-7	C3H6N2S	`imidazolidine-2-thione`
Iminodiacetic Acid	142-73-4	C4H7NO4	`iminodiacetic-acid`
Iminodiacetonitrile	628-87-5	C4H5N3	`iminodiacetonitrile`
InChI=1/C4H4Br2/c5-3-1-2-4-6/h3-4H	2219-66-1	C4H4Br2	`inchi1c4h4br2c5-3-1-2-4-6h3-4h`
Iodoethane	75-03-6	C2H5I	`iodoethane`
Isethionic Acid	107-36-8	C2H6O4S	`isethionic-acid`
Isobutanol	78-83-1	C4H10O	`isobutanol`
Isobutyl mercaptan	513-44-0	C4H10S	`isobutyl-mercaptan`
Isobutylene bromide	594-34-3	C4H8Br2	`isobutylene-bromide`
Isobutylene oxide	558-30-5	C4H8O	`isobutylene-oxide`
Isobutyltrichlorosilane	18169-57-8	C4H9Cl3Si	`isobutyltrichlorosilane`
Isobutyraldehyde	78-84-2	C4H8O	`isobutyraldehyde`
Isobutyric Acid	79-31-2	C4H8O2	`isobutyric-acid`
Isopral	76-00-6	C3H5Cl3O	`isopral`
Isopropanol	67-63-0	C3H8O	`isopropanol`
Isopropyl Carbamate	1746-77-6	C4H9NO2	`isopropyl-carbamate`
Isopropyl chloroformate	108-23-6	C4H7ClO2	`isopropyl-chloroformate`
Isopropyl Formate	625-55-8	C4H8O2	`isopropyl-formate`
Isopropyl isocyanate	1795-48-8	C4H7NO	`isopropyl-isocyanate`
lactic acid	50-21-5	C3H6O3	`lactic-acid`
Lanthionamine	871-76-1	C4H12N2S	`lanthionamine`
Lysidine	534-26-9	C4H8N2	`lysidine`
Maleimide	541-59-3	C4H3NO2	`maleimide`
malic acid	6915-15-7	C4H6O5	`malic-acid`
malonic acid	141-82-2	C3H4O4	`malonic-acid`
Malonic acid dihydrazide	3815-86-9	C3H8N4O2	`malonic-acid-dihydrazide`
Malononitrile	109-77-3	C3H2N2	`malononitrile`
mercaptoacetic acid	68-11-1	C2H4O2S	`mercaptoacetic-acid`
Mercaptosuccinic acid	70-49-5	C4H6O4S	`mercaptosuccinic-acid`
Mercaptotriazole	3179-31-5	C2H3N3S	`mercaptotriazole`
Methacrolein	78-85-3	C4H6O	`methacrolein`
Methacrylamide	79-39-0	C4H7NO	`methacrylamide`
Methacrylic Acid	79-41-4	C4H6O2	`methacrylic-acid`
Methacrylonitrile	126-98-7	C4H5N	`methacrylonitrile`
Methacryloyl Chloride	920-46-7	C4H5ClO	`methacryloyl-chloride`
Methallyl Alcohol	513-42-8	C4H8O	`methallyl-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).