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METHYL-(S)-(+)-2-(2-ACETYL-3-(PHENYLAMINO)-BUT-2-ENETHIOYLAMINO)-4-(METHYLSULFANYL)-BUTANOATE

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METHYL-(S)-(+)-2-(2-ACETYL-3-(PHENYLAMINO)-BUT-2-ENETHIOYLAMINO)-4-(METHYLSULFANYL)-BUTANOATE
SpectraBase Compound ID EMN5LiuMN2y
InChI InChI=1S/C18H24N2O3S2/c1-12(19-14-8-6-5-7-9-14)16(13(2)21)17(24)20-15(10-11-25-4)18(22)23-3/h5-9,15,19H,10-11H2,1-4H3,(H,20,24)/b16-12+/t15-/m0/s1
InChIKey HZOBOOUYVABVFU-DLEKYWELSA-N
Mol Weight 380.52 g/mol
Molecular Formula C18H24N2O3S2
Exact Mass 380.122835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3IPdecWQwv
Name METHYL-(S)-(+)-2-(2-ACETYL-3-(PHENYLAMINO)-BUT-2-ENETHIOYLAMINO)-4-(METHYLSULFANYL)-BUTANOATE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2O3S2
InChI InChI=1S/C18H24N2O3S2/c1-12(19-14-8-6-5-7-9-14)16(13(2)21)17(24)20-15(10-11-25-4)18(22)23-3/h5-9,15,19H,10-11H2,1-4H3,(H,20,24)/b16-12+/t15-/m0/s1
InChIKey HZOBOOUYVABVFU-DLEKYWELSA-N
Literature Reference Author D.CIEZ,E.SZNELER
Literature Reference Citation MH.CHEM.,136,2059(2005)
Literature Reference DOI 10.1007/s00706-005-0353-4
Molecular Weight 380.520 g/mol
Solvent CDCl3
Source File Reference UWSI23883