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2-Propenoic acid, 2-cyano-3-[[(4-methylphenyl)sulfonyl]oxy]-3-(4-nitrophenyl)-, methyl ester, (E)-
SpectraBase Compound ID 27ICil3g7ju
InChI InChI=1S/C18H14N2O7S/c1-12-3-9-15(10-4-12)28(24,25)27-17(16(11-19)18(21)26-2)13-5-7-14(8-6-13)20(22)23/h3-10H,1-2H3/b17-16+
InChIKey SKGAGGHEBRPFEB-WUKNDPDISA-N
Mol Weight 402.38 g/mol
Molecular Formula C18H14N2O7S
Exact Mass 402.052172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23XTMAG3se1
Name 2-Propenoic acid, 2-cyano-3-[[(4-methylphenyl)sulfonyl]oxy]-3-(4-nitrophenyl)-, methyl ester, (E)-
CAS Registry Number 112220-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2O7S
InChI InChI=1S/C18H14N2O7S/c1-12-3-9-15(10-4-12)28(24,25)27-17(16(11-19)18(21)26-2)13-5-7-14(8-6-13)20(22)23/h3-10H,1-2H3/b17-16+
InChIKey SKGAGGHEBRPFEB-WUKNDPDISA-N
Molecular Weight 402.377 g/mol
SMILES C(\C(=C/(OS(c1ccc(cc1)C)(=O)=O)c1ccc(N(=O)=O)cc1)C#N)(=O)OC
SPLASH splash10-0udj-0790600000-ea7232eae263a3ca2437
Source of Spectrum C-110-921-0
Synonyms (E)-.alpha.-cyano-p-nitro-.beta.-(tosyloxy)cinnamates Methyl (2E)-2-cyano-3-{[(4-methylphenyl)sulfonyl]oxy}-3-(4-nitrophenyl)-2-propenoate
Wiley ID 1370191