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Methyl (4E)-2-(phenylsulfonyl)-4-hexenoate
SpectraBase Compound ID FiFQrNP4STd
InChI InChI=1S/C13H16O4S/c1-3-4-10-12(13(14)17-2)18(15,16)11-8-6-5-7-9-11/h3-9,12H,10H2,1-2H3/b4-3+
InChIKey IOHJCUHJESKHPH-ONEGZZNKSA-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 CIk23VRlM11
Name 4-HEXENOIC ACID, 2-(PHENYLSULFONYL)-, METHYL ESTER, (E)-
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Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-3-4-10-12(13(14)17-2)18(15,16)11-8-6-5-7-9-11/h3-9,12H,10H2,1-2H3/b4-3+
InChIKey IOHJCUHJESKHPH-ONEGZZNKSA-N
Instrument Name 311A
Molecular Weight 268.0765
SMILES C\C=C\CC(S(=O)(=O)c1ccccc1)C(OC)=O
SPLASH splash10-004i-9500000000-c95b1744874c668e656d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany