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(2E)-1-methyl-3-[(4-methylphenyl)sulfonyl]-2-propenyl acetate
SpectraBase Compound ID 6aOEPO6PiV0
InChI InChI=1S/C13H16O4S/c1-10-4-6-13(7-5-10)18(15,16)9-8-11(2)17-12(3)14/h4-9,11H,1-3H3/b9-8+
InChIKey XVLUCGYGUIOYNL-CMDGGOBGSA-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 4RCnihGOhI
Name (2E)-1-methyl-3-[(4-methylphenyl)sulfonyl]-2-propenyl acetate
Alternate Name(s) Acetic acid [(E)-4-(4-methylphenyl)sulfonylbut-3-en-2-yl] ester [(E)-4-(4-methylphenyl)sulfonylbut-3-en-2-yl] acetate [(E)-1-methyl-3-(p-tolylsulfonyl)allyl] acetate [(E)-4-(4-methylphenyl)sulfonylbut-3-en-2-yl] ethanoate
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Formula C13H16O4S
InChI InChI=1S/C13H16O4S/c1-10-4-6-13(7-5-10)18(15,16)9-8-11(2)17-12(3)14/h4-9,11H,1-3H3/b9-8+
InChIKey XVLUCGYGUIOYNL-CMDGGOBGSA-N
Molecular Weight 268.327 g/mol
SMILES C(\C=C\S(c1ccc(cc1)C)(=O)=O)(OC(=O)C)C
SPLASH splash10-01p6-9820000000-cd589da10fae21af012e
Source of Spectrum F-47-6348-3
Wiley ID 1271825