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(E)-3-(4-Tolyl-sulfonyl)-crotonic acid, methyl ester
SpectraBase Compound ID 2IAuKpJh6z1
InChI InChI=1S/C12H14O4S/c1-9-4-6-11(7-5-9)17(14,15)10(2)8-12(13)16-3/h4-8H,1-3H3/b10-8+
InChIKey WVCOPWDQUZSRPQ-CSKARUKUSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gfSXPwo0dy
Name 2-Butenoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester, (E)-
Alternate Name(s) Methyl (2E)-3-[(4-methylphenyl)sulfonyl]-2-butenoate Methyl (E)-3-(p-tolylsulphonyl)crotonate
CAS Registry Number 117659-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-9-4-6-11(7-5-9)17(14,15)10(2)8-12(13)16-3/h4-8H,1-3H3/b10-8+
InChIKey WVCOPWDQUZSRPQ-CSKARUKUSA-N
Molecular Weight 254.300 g/mol
SMILES C(\C=C/(S(c1ccc(cc1)C)(=O)=O)C)(=O)OC
SPLASH splash10-0002-9200000000-57453175c5c1dcf39de8
Source of Spectrum KC-1988-1032-3
Wiley ID 1257355