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2-Pentenoic acid, 4-methyl-2-(phenylsulfonyl)-, methyl ester
SpectraBase Compound ID EBgsuMaKIoF
InChI InChI=1S/C13H16O4S/c1-10(2)9-12(13(14)17-3)18(15,16)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+
InChIKey PGJYFCGKINUZKN-FMIVXFBMSA-N
Mol Weight 268.33 g/mol
Molecular Formula C13H16O4S
Exact Mass 268.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjsnjidJKw0
Name 2-Pentenoic acid, 4-methyl-2-(phenylsulfonyl)-, methyl ester
CAS Registry Number 67428-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-10(2)9-12(13(14)17-3)18(15,16)11-7-5-4-6-8-11/h4-10H,1-3H3/b12-9+
InChIKey PGJYFCGKINUZKN-FMIVXFBMSA-N
Molecular Weight 268.327 g/mol
SMILES C(\C(S(=O)(=O)c1ccccc1)=C/C(C)C)(=O)OC
SPLASH splash10-004i-9110000000-5995f2e41a3f2b05ef8d
Source of Spectrum C-100-3433-0
Synonyms Methyl (2E)-4-methyl-2-(phenylsulfonyl)-2-pentenoate Methyl 4-methyl-2-phenylsulfonyl-2-butenoate
Wiley ID 1271818