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2-[(METHYLTHIO)AMINOMETHYLENE]-3-OXOBUTANOIC ACID, ETHYL ESTER
SpectraBase Compound ID 3HTET7QUUiz
InChI InChI=1S/C8H13NO3S/c1-4-12-8(11)6(5(2)10)7(9)13-3/h4,9H2,1-3H3/b7-6+
InChIKey OJZQPDNVANGFHC-VOTSOKGWSA-N
Mol Weight 203.26 g/mol
Molecular Formula C8H13NO3S
Exact Mass 203.061614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F08gi88Bqtc
Name 2-[(METHYLTHIO)AMINOMETHYLENE]-3-OXOBUTANOIC ACID, ETHYL ESTER
Comments 0
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Formula C8H13NO3S
InChI InChI=1S/C8H13NO3S/c1-4-12-8(11)6(5(2)10)7(9)13-3/h4,9H2,1-3H3/b7-6+
InChIKey OJZQPDNVANGFHC-VOTSOKGWSA-N
Instrument Name Bruker AM-300
Literature Reference V.A.DOROKHOV, M.F.GORDEEV, E.M.SHASHKOVA, A.V.KOMKOV, V.S.BOGDANOV (1991)Izv.Akad.Nauk SSSR(Russ. Lang.): N11, 2600-2605.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d