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(E)-2-(2-methanoylphenyl)-7-(phenylsulfonyl)hept-6-enoic acid
SpectraBase Compound ID IyrParhSPGC
InChI InChI=1S/C20H20O5S/c21-15-16-9-6-7-12-18(16)19(20(22)23)13-5-2-8-14-26(24,25)17-10-3-1-4-11-17/h1,3-4,6-12,14-15,19H,2,5,13H2,(H,22,23)/b14-8+
InChIKey SSHCCHYDCOASFL-RIYZIHGNSA-N
Mol Weight 372.44 g/mol
Molecular Formula C20H20O5S
Exact Mass 372.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FkfAgYjYcn
Name (E)-2-(2-methanoylphenyl)-7-(phenylsulfonyl)hept-6-enoic acid
Alternate Name(s) (E)-7-(benzenesulfonyl)-2-(2-formylphenyl)-6-heptenoic acid (E)-7-(benzenesulfonyl)-2-(2-formylphenyl)hept-6-enoic acid (E)-7-besyl-2-(2-formylphenyl)hept-6-enoic acid
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Formula C20H20O5S
InChI InChI=1S/C20H20O5S/c21-15-16-9-6-7-12-18(16)19(20(22)23)13-5-2-8-14-26(24,25)17-10-3-1-4-11-17/h1,3-4,6-12,14-15,19H,2,5,13H2,(H,22,23)/b14-8+
InChIKey SSHCCHYDCOASFL-RIYZIHGNSA-N
Molecular Weight 372.435 g/mol
SMILES OC(C(c1c(C=O)cccc1)CCC\C=C\S(=O)(=O)c1ccccc1)=O
SPLASH splash10-0005-1910000000-eb80527d6d7f1f7de01a
Source of Spectrum KC-0-1936-13
Wiley ID 822808