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METHYL-(S,S)-(+)-3-METHYL-2-(3-(PHENYLAMINO)-BUT-2-ENETHIOYLAMINO)-PENTANOATE
SpectraBase Compound ID 4PZMoR6Wf4G
InChI InChI=1S/C17H24N2O2S/c1-5-12(2)16(17(20)21-4)19-15(22)11-13(3)18-14-9-7-6-8-10-14/h6-12,16,18H,5H2,1-4H3,(H,19,22)/b13-11+/t12-,16-/m0/s1
InChIKey LGNDXHAHDFBSSZ-ZZIWIRLVSA-N
Mol Weight 320.45 g/mol
Molecular Formula C17H24N2O2S
Exact Mass 320.155849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52eCyNwukbc
Name METHYL-(S,S)-(+)-3-METHYL-2-(3-(PHENYLAMINO)-BUT-2-ENETHIOYLAMINO)-PENTANOATE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24N2O2S
InChI InChI=1S/C17H24N2O2S/c1-5-12(2)16(17(20)21-4)19-15(22)11-13(3)18-14-9-7-6-8-10-14/h6-12,16,18H,5H2,1-4H3,(H,19,22)/b13-11+/t12-,16-/m0/s1
InChIKey LGNDXHAHDFBSSZ-ZZIWIRLVSA-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 320.450 g/mol
Solvent CDCl3
Source File Reference UWSI23887