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2-(2-Formyl-5-methoxyphenyl)-6,6-dimethyl-8-phenylsulfonyloct-7-enoic acid methyl ester
SpectraBase Compound ID CH8vwEIxbRg
InChI InChI=1S/C25H30O6S/c1-25(2,15-16-32(28,29)21-9-6-5-7-10-21)14-8-11-22(24(27)31-4)23-17-20(30-3)13-12-19(23)18-26/h5-7,9-10,12-13,15-18,22H,8,11,14H2,1-4H3/b16-15+
InChIKey QYSLIYCDSDTELP-FOCLMDBBSA-N
Mol Weight 458.57 g/mol
Molecular Formula C25H30O6S
Exact Mass 458.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X7IcIw1TcG
Name 2-(2-Formyl-5-methoxyphenyl)-6,6-dimethyl-8-phenylsulfonyloct-7-enoic acid methyl ester
Alternate Name(s) Methyl (7E)-2-(2-formyl-5-methoxyphenyl)-6,6-dimethyl-8-(phenylsulfonyl)-7-octenoate
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Formula C25H30O6S
InChI InChI=1S/C25H30O6S/c1-25(2,15-16-32(28,29)21-9-6-5-7-10-21)14-8-11-22(24(27)31-4)23-17-20(30-3)13-12-19(23)18-26/h5-7,9-10,12-13,15-18,22H,8,11,14H2,1-4H3/b16-15+
InChIKey QYSLIYCDSDTELP-FOCLMDBBSA-N
Molecular Weight 458.569 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)(CCCC(c1c(ccc(c1)OC)C=O)C(=O)OC)(C)C
SPLASH splash10-06vu-2920000000-d5c39a646cb52eed07b5
Source of Spectrum KC-0-1933-0
Wiley ID 822830