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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 FeoNGwhpntH
Name Methyl (4E)-2-(phenylsulfonyl)-4-hexenoate
Alternate Name(s) (E)-2-(benzenesulfonyl)-4-hexenoic acid methyl ester (E)-2-besylhex-4-enoic acid methyl ester 4-Hexenoic acid, 2-(phenylsulfonyl)-, methyl ester, (E)- Methyl (E)-2-(benzenesulfonyl)hex-4-enoate Methyl (E)-2-(phenylsulfonyl)hex-4-enoate
CAS Registry Number 110210-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 268.327 g/mol
SMILES c1cccc(S(C(C\C=C\C)C(=O)OC)(=O)=O)c1
SPLASH splash10-004i-9500000000-3e5efe7110a961ef09d1
Wiley ID 1495782