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Methyl (2Z,3E)-4-cyano-3-(methylsulfanyl)-4-[(p-tolyl)sulfonyl]-2-(1H-pyrid-2'-ylidene)-butenoate
SpectraBase Compound ID CKjlrMKoKCm
InChI InChI=1S/C19H18N2O4S2/c1-13-7-9-14(10-8-13)27(23,24)16(12-20)18(26-3)17(19(22)25-2)15-6-4-5-11-21-15/h4-11,21H,1-3H3/b17-15-,18-16-
InChIKey ZZGFATXQUPVBDR-IQRFGFHNSA-N
Mol Weight 402.48 g/mol
Molecular Formula C19H18N2O4S2
Exact Mass 402.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 968dTiiG2mE
Name Methyl (2Z,3E)-4-cyano-3-(methylsulfanyl)-4-[(p-tolyl)sulfonyl]-2-(1H-pyrid-2'-ylidene)-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O4S2
InChI InChI=1S/C19H18N2O4S2/c1-13-7-9-14(10-8-13)27(23,24)16(12-20)18(26-3)17(19(22)25-2)15-6-4-5-11-21-15/h4-11,21H,1-3H3/b17-15-,18-16-
InChIKey ZZGFATXQUPVBDR-IQRFGFHNSA-N
Molecular Weight 402.483 g/mol
SMILES N1C=CC=C\C1=C\(\C(=C/(S(c1ccc(C)cc1)(=O)=O)C#N)SC)C(=O)OC
SPLASH splash10-0uxs-1190100000-bb4c919d7f15f006a36f
Source of Spectrum U1-2009-5852-5band6b
Wiley ID 1697445