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3-(BETA-AMINOETHYLTHIO-ALPHA-CARBOXY)-2-CYANOPROPANOIC ACID, ETHYLESTER, HYDROCHLORIDE
SpectraBase Compound ID IpwlrFj0Wxn
InChI InChI=1S/C9H14N2O4S.ClH/c1-2-15-9(14)6(3-10)4-16-5-7(11)8(12)13;/h6-7H,2,4-5,11H2,1H3,(H,12,13);1H
InChIKey VAACMGMVSOOADX-UHFFFAOYSA-N
Mol Weight 282.74 g/mol
Molecular Formula C9H15ClN2O4S
Exact Mass 282.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsT4FHQctmc
Name 3-(BETA-AMINOETHYLTHIO-ALPHA-CARBOXY)-2-CYANOPROPANOIC ACID, ETHYLESTER, HYDROCHLORIDE
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Formula C9H15ClN2O4S
InChI InChI=1S/C9H14N2O4S.ClH/c1-2-15-9(14)6(3-10)4-16-5-7(11)8(12)13;/h6-7H,2,4-5,11H2,1H3,(H,12,13);1H
InChIKey VAACMGMVSOOADX-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.I.KANDROR, I.O.BRAGINA, M.A.GALKINA, T.I.GUSEVA, B.D.LAVRUKHIN,YU.G.GOLOLOBOV (1991) Izv.Akad.Nauk SSSR(Russ. Lang.): N12, 2816-2820.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O water