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METHYL-3-[[1-AMINO-2-(BUTOXYCARBONYL)-2-CYANOETHYL]-AMINO]-THIOPHENE-2-CARBOXYLATE
SpectraBase Compound ID 9lU7SlgcwhV
InChI InChI=1S/C14H17N3O4S/c1-3-4-6-21-13(18)9(8-15)12(16)17-10-5-7-22-11(10)14(19)20-2/h5,7,17H,3-4,6,16H2,1-2H3/b12-9+
InChIKey KGCWEHJOLSGZBT-FMIVXFBMSA-N
Mol Weight 323.37 g/mol
Molecular Formula C14H17N3O4S
Exact Mass 323.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICaLRsQJDRu
Name METHYL-3-[[1-AMINO-2-(BUTOXYCARBONYL)-2-CYANOETHYL]-AMINO]-THIOPHENE-2-CARBOXYLATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17N3O4S
InChI InChI=1S/C14H17N3O4S/c1-3-4-6-21-13(18)9(8-15)12(16)17-10-5-7-22-11(10)14(19)20-2/h5,7,17H,3-4,6,16H2,1-2H3/b12-9+
InChIKey KGCWEHJOLSGZBT-FMIVXFBMSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation HELV.CHIM.ACTA,74,579(1991)
Literature Reference DOI 10.1002/hlca.19910740315
Molecular Weight 323.367 g/mol
Solvent DMSO-D6
Source File Reference UWVP5628