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2,4-Dimethoxy-6-[(E)-5-(4-methylphenyl)sulfonylpent-1-enyl]benzoic acid methyl ester
SpectraBase Compound ID 4aQsdmLRCqH
InChI InChI=1S/C22H26O6S/c1-16-9-11-19(12-10-16)29(24,25)13-7-5-6-8-17-14-18(26-2)15-20(27-3)21(17)22(23)28-4/h6,8-12,14-15H,5,7,13H2,1-4H3/b8-6+
InChIKey OJSSIVPDOQSEEL-SOFGYWHQSA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H26O6S
Exact Mass 418.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjZcKl2kEUg
Name 2,4-Dimethoxy-6-[(E)-5-(4-methylphenyl)sulfonylpent-1-enyl]benzoic acid methyl ester
Alternate Name(s) 2,4-Dimethoxy-6-[(E)-5-tosylpent-1-enyl]benzoic acid methyl ester Methyl 2,4-dimethoxy-6-[(E)-5-(4-methylphenyl)sulfonylpent-1-enyl]benzoate Methyl 2,4-dimethoxy-6-[(E)-5-(p-tolylsulfonyl)pent-1-enyl]benzoate
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Formula C22H26O6S
InChI InChI=1S/C22H26O6S/c1-16-9-11-19(12-10-16)29(24,25)13-7-5-6-8-17-14-18(26-2)15-20(27-3)21(17)22(23)28-4/h6,8-12,14-15H,5,7,13H2,1-4H3/b8-6+
InChIKey OJSSIVPDOQSEEL-SOFGYWHQSA-N
Molecular Weight 418.504 g/mol
SMILES c1(S(=O)(=O)CCC\C=C\c2c(c(OC)cc(c2)OC)C(=O)OC)ccc(cc1)C
SPLASH splash10-001i-1090000000-abffdc5b6741c89d1ba2
Source of Spectrum J-56-2320-9
Wiley ID 1377132