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Methyl 6-(Phenylsulfonyl)-2,6-heptadienoate
SpectraBase Compound ID 9aRYSmb6EPI
InChI InChI=1S/C14H16O4S/c1-12(8-6-7-11-14(15)18-2)19(16,17)13-9-4-3-5-10-13/h3-5,7,9-11H,1,6,8H2,2H3/b11-7+
InChIKey IJHKKIORRKQJQD-YRNVUSSQSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdsLzyzEpuh
Name Methyl 6-(Phenylsulfonyl)-2,6-heptadienoate
Alternate Name(s) Methyl (2E)-6-(phenylsulfonyl)-2,6-heptadienoate
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Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-12(8-6-7-11-14(15)18-2)19(16,17)13-9-4-3-5-10-13/h3-5,7,9-11H,1,6,8H2,2H3/b11-7+
InChIKey IJHKKIORRKQJQD-YRNVUSSQSA-N
Molecular Weight 280.338 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(=C)CC\C=C\C(=O)OC
SPLASH splash10-004i-9300000000-d4e5e4f0ad6c53277105
Source of Spectrum F-47-8312-0
Wiley ID 1283583