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METHYL-(S)-(+)-2-(2-ACETYL-3-(PHENYLAMINO)-BUT-2-ENETHIOYLAMINO)-3-PHENYLPROPIONATE
SpectraBase Compound ID KGFIUnyXvou
InChI InChI=1S/C22H24N2O3S/c1-15(23-18-12-8-5-9-13-18)20(16(2)25)21(28)24-19(22(26)27-3)14-17-10-6-4-7-11-17/h4-13,19,23H,14H2,1-3H3,(H,24,28)/b20-15+/t19-/m0/s1
InChIKey PZNCLCKWTXYPRC-AZGFIHASSA-N
Mol Weight 396.51 g/mol
Molecular Formula C22H24N2O3S
Exact Mass 396.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9Dz03pKm8U
Name METHYL-(S)-(+)-2-(2-ACETYL-3-(PHENYLAMINO)-BUT-2-ENETHIOYLAMINO)-3-PHENYLPROPIONATE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2O3S
InChI InChI=1S/C22H24N2O3S/c1-15(23-18-12-8-5-9-13-18)20(16(2)25)21(28)24-19(22(26)27-3)14-17-10-6-4-7-11-17/h4-13,19,23H,14H2,1-3H3,(H,24,28)/b20-15+/t19-/m0/s1
InChIKey PZNCLCKWTXYPRC-AZGFIHASSA-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 396.504 g/mol
Solvent CDCl3
Source File Reference UWSI23880