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Methyl (E)-2,2-Dibenzyl-5-phenyl-4-tosyl-3-pentenoate
SpectraBase Compound ID JzDv3EYiHjk
InChI InChI=1S/C33H32O4S/c1-26-18-20-30(21-19-26)38(35,36)31(22-27-12-6-3-7-13-27)25-33(32(34)37-2,23-28-14-8-4-9-15-28)24-29-16-10-5-11-17-29/h3-21,25H,22-24H2,1-2H3/b31-25+
InChIKey MHOAZUATYSOLQB-QCKNELIISA-N
Mol Weight 524.7 g/mol
Molecular Formula C33H32O4S
Exact Mass 524.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnovzT9TzwD
Name Methyl (E)-2,2-Dibenzyl-5-phenyl-4-tosyl-3-pentenoate
Alternate Name(s) Methyl (3E)-2,2-dibenzyl-4-[(4-methylphenyl)sulfonyl]-5-phenyl-3-pentenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H32O4S
InChI InChI=1S/C33H32O4S/c1-26-18-20-30(21-19-26)38(35,36)31(22-27-12-6-3-7-13-27)25-33(32(34)37-2,23-28-14-8-4-9-15-28)24-29-16-10-5-11-17-29/h3-21,25H,22-24H2,1-2H3/b31-25+
InChIKey MHOAZUATYSOLQB-QCKNELIISA-N
Molecular Weight 524.675 g/mol
SMILES C(\C=C/(S(c1ccc(cc1)C)(=O)=O)Cc1ccccc1)(C(=O)OC)(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-002f-9040000000-613a3014e4f58ad029c1
Source of Spectrum F-52-15252-9
Wiley ID 799689