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(E)-methyl 1-acetyl-2-(4-(2-(4-methylphenylsulfonamido)ethyl)benzylidene)cyclopentanecarboxylate
SpectraBase Compound ID DYjUBP5gdey
InChI InChI=1S/C25H29NO5S/c1-18-6-12-23(13-7-18)32(29,30)26-16-14-20-8-10-21(11-9-20)17-22-5-4-15-25(22,19(2)27)24(28)31-3/h6-13,17,26H,4-5,14-16H2,1-3H3/b22-17+
InChIKey XBDGHXUKFXXWCB-OQKWZONESA-N
Mol Weight 455.57 g/mol
Molecular Formula C25H29NO5S
Exact Mass 455.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nXd2YdhIG
Name (E)-methyl 1-acetyl-2-(4-(2-(4-methylphenylsulfonamido)ethyl)benzylidene)cyclopentanecarboxylate
Alternate Name(s) Methyl (E)-1-acetyl-2-(4-(2-((4-methylphenyl)sulfonamido)ethyl)benzylidene)cyclopentane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO5S
InChI InChI=1S/C25H29NO5S/c1-18-6-12-23(13-7-18)32(29,30)26-16-14-20-8-10-21(11-9-20)17-22-5-4-15-25(22,19(2)27)24(28)31-3/h6-13,17,26H,4-5,14-16H2,1-3H3/b22-17+
InChIKey XBDGHXUKFXXWCB-OQKWZONESA-N
Literature Reference DOI 10.1002/adsc.201600175
Molecular Weight 455.569 g/mol
SMILES N(CCc1ccc(\C=C\2C(CCC2)(C(=O)C)C(=O)OC)cc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000x-6902000000-3f8773acfe49621b2633
Source of Spectrum ASC-358-1820/SM8-20
Wiley ID 1807394