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4-Pentenoic acid, 2-[(4-methylphenyl)sulfonyl]-5-phenyl-, methyl ester, (E)-
SpectraBase Compound ID GUHP5BhMzKp
InChI InChI=1S/C19H20O4S/c1-15-11-13-17(14-12-15)24(21,22)18(19(20)23-2)10-6-9-16-7-4-3-5-8-16/h3-9,11-14,18H,10H2,1-2H3/b9-6+
InChIKey ORDSXGPFGQFPLH-RMKNXTFCSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9riYnBV8G5a
Name 4-Pentenoic acid, 2-[(4-methylphenyl)sulfonyl]-5-phenyl-, methyl ester, (E)-
CAS Registry Number 113558-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O4S
InChI InChI=1S/C19H20O4S/c1-15-11-13-17(14-12-15)24(21,22)18(19(20)23-2)10-6-9-16-7-4-3-5-8-16/h3-9,11-14,18H,10H2,1-2H3/b9-6+
InChIKey ORDSXGPFGQFPLH-RMKNXTFCSA-N
Molecular Weight 344.425 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(=O)OC)C\C=C\c1ccccc1
SPLASH splash10-002r-0900000000-3af87e1137ddc8b3b8ba
Source of Spectrum AJ-60-3432-8
Synonyms 2-(p-tolylsulfonyl)-5-phenyl-4-pentenoic acid methyl ester Methyl (4E)-2-[(4-methylphenyl)sulfonyl]-5-phenyl-4-pentenoate
Wiley ID 1337877