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Methyl (E)-2,2-dibenzyl-4-tosyl-3-butenoate
SpectraBase Compound ID 2rq21lmKTmD
InChI InChI=1S/C26H26O4S/c1-21-13-15-24(16-14-21)31(28,29)18-17-26(25(27)30-2,19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-18H,19-20H2,1-2H3/b18-17+
InChIKey CIYQDJXVWRYCNW-ISLYRVAYSA-N
Mol Weight 434.55 g/mol
Molecular Formula C26H26O4S
Exact Mass 434.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KuqWrR1Ype
Name Methyl (E)-2,2-dibenzyl-4-tosyl-3-butenoate
Alternate Name(s) Methyl (3E)-2,2-dibenzyl-4-[(4-methylphenyl)sulfonyl]-3-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O4S
InChI InChI=1S/C26H26O4S/c1-21-13-15-24(16-14-21)31(28,29)18-17-26(25(27)30-2,19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-18H,19-20H2,1-2H3/b18-17+
InChIKey CIYQDJXVWRYCNW-ISLYRVAYSA-N
Molecular Weight 434.550 g/mol
SMILES C(\C=C\S(c1ccc(cc1)C)(=O)=O)(C(=O)OC)(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-002f-9760000000-e8e56f6cb8bae19508d4
Source of Spectrum F-52-15252-7
Wiley ID 799690