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Methyl (2E)-5-(4-Chlorophenyl)-4,5-[(4-methylphenyl)sulfonylimino]pent-2-enoate
SpectraBase Compound ID CljcuqRTaDS
InChI InChI=1S/C19H18ClNO4S/c1-13-3-9-16(10-4-13)26(23,24)21-17(11-12-18(22)25-2)19(21)14-5-7-15(20)8-6-14/h3-12,17,19H,1-2H3/b12-11+
InChIKey ZMLVNYJXEXQSFJ-VAWYXSNFSA-N
Mol Weight 391.87 g/mol
Molecular Formula C19H18ClNO4S
Exact Mass 391.064507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AO3a2iqEt9W
Name Methyl (2E)-5-(4-Chlorophenyl)-4,5-[(4-methylphenyl)sulfonylimino]pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClNO4S
InChI InChI=1S/C19H18ClNO4S/c1-13-3-9-16(10-4-13)26(23,24)21-17(11-12-18(22)25-2)19(21)14-5-7-15(20)8-6-14/h3-12,17,19H,1-2H3/b12-11+
InChIKey ZMLVNYJXEXQSFJ-VAWYXSNFSA-N
Molecular Weight 391.869 g/mol
SMILES c1(S(N2C(\C=C\C(=O)OC)C2c2ccc(cc2)Cl)(=O)=O)ccc(cc1)C
SPLASH splash10-000i-2090000000-a86cdabb5ec852ab0a23
Source of Spectrum PS-0-2728-1
Synonyms Methyl (2E)-3-{3-(4-chlorophenyl)-1-[(4-methylphenyl)sulfonyl]-2-aziridinyl}-2-propenoate
Wiley ID 786875