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Methyl (2E)-5-(2-methoxyphenyl)-4,5-[(4-methylphenyl)sulfonylimino]pent-2-enoate
SpectraBase Compound ID IwpSngR7gZj
InChI InChI=1S/C20H21NO5S/c1-14-8-10-15(11-9-14)27(23,24)21-17(12-13-19(22)26-3)20(21)16-6-4-5-7-18(16)25-2/h4-13,17,20H,1-3H3/b13-12+
InChIKey XHUHCGISESPYDG-OUKQBFOZSA-N
Mol Weight 387.45 g/mol
Molecular Formula C20H21NO5S
Exact Mass 387.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvENqjMYS05
Name Methyl (2E)-5-(2-methoxyphenyl)-4,5-[(4-methylphenyl)sulfonylimino]pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO5S
InChI InChI=1S/C20H21NO5S/c1-14-8-10-15(11-9-14)27(23,24)21-17(12-13-19(22)26-3)20(21)16-6-4-5-7-18(16)25-2/h4-13,17,20H,1-3H3/b13-12+
InChIKey XHUHCGISESPYDG-OUKQBFOZSA-N
Molecular Weight 387.450 g/mol
SMILES c1(S(N2C(c3c(OC)cccc3)C2\C=C\C(=O)OC)(=O)=O)ccc(cc1)C
SPLASH splash10-001l-7490000000-a5aa60808d247570b4de
Source of Spectrum PS-0-2728-1
Synonyms Methyl (2E)-3-{3-(2-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-2-aziridinyl}-2-propenoate
Wiley ID 786873