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Methyl (2E)-4,5-[(4-methylphenyl)sulfonylimino]-5-(4-nitrophenyl)pent-2-enoate
SpectraBase Compound ID EnRtJCFBlOI
InChI InChI=1S/C19H18N2O6S/c1-13-3-9-16(10-4-13)28(25,26)20-17(11-12-18(22)27-2)19(20)14-5-7-15(8-6-14)21(23)24/h3-12,17,19H,1-2H3/b12-11+
InChIKey OQXGIYPYVITLEX-VAWYXSNFSA-N
Mol Weight 402.42 g/mol
Molecular Formula C19H18N2O6S
Exact Mass 402.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5ThpoIALme
Name Methyl (2E)-4,5-[(4-methylphenyl)sulfonylimino]-5-(4-nitrophenyl)pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O6S
InChI InChI=1S/C19H18N2O6S/c1-13-3-9-16(10-4-13)28(25,26)20-17(11-12-18(22)27-2)19(20)14-5-7-15(8-6-14)21(23)24/h3-12,17,19H,1-2H3/b12-11+
InChIKey OQXGIYPYVITLEX-VAWYXSNFSA-N
Molecular Weight 402.421 g/mol
SMILES c1(S(N2C(\C=C\C(=O)OC)C2c2ccc(N(=O)=O)cc2)(=O)=O)ccc(cc1)C
SPLASH splash10-014m-9460000000-0aec6a37457caf8b2bb5
Source of Spectrum PS-0-2728-1
Synonyms Methyl (2E)-3-[1-[(4-methylphenyl)sulfonyl]-3-(4-nitrophenyl)-2-aziridinyl]-2-propenoate
Wiley ID 786871