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(2E,7E)-8-Benzenesulfonyl-2-(4-isopropyl-5-methoxy-2-methyl-phenyl)-6,6-dimethyl-octa-2,7-dienoic acid methyl ester
SpectraBase Compound ID 7zo9pS9soOG
InChI InChI=1S/C28H36O5S/c1-20(2)24-18-21(3)25(19-26(24)32-6)23(27(29)33-7)14-11-15-28(4,5)16-17-34(30,31)22-12-9-8-10-13-22/h8-10,12-14,16-20H,11,15H2,1-7H3/b17-16+,23-14?
InChIKey PPAMOIXBTHPTFU-FMYPRAJJSA-N
Mol Weight 484.7 g/mol
Molecular Formula C28H36O5S
Exact Mass 484.228345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFxFBRcFzvA
Name (2E,7E)-8-Benzenesulfonyl-2-(4-isopropyl-5-methoxy-2-methyl-phenyl)-6,6-dimethyl-octa-2,7-dienoic acid methyl ester
Alternate Name(s) Methyl (2E,7E)-2-(4-isopropyl-5-methoxy-2-methylphenyl)-6,6-dimethyl-8-(phenylsulfonyl)-2,7-octadienoate Methyl (E)-2-(4-isopropyl-5-methoxy-2-methylphenyl)-8-phenylsulfonylocta-2,7-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O5S
InChI InChI=1S/C28H36O5S/c1-20(2)24-18-21(3)25(19-26(24)32-6)23(27(29)33-7)14-11-15-28(4,5)16-17-34(30,31)22-12-9-8-10-13-22/h8-10,12-14,16-20H,11,15H2,1-7H3/b17-16+,23-14?
InChIKey PPAMOIXBTHPTFU-FMYPRAJJSA-N
Molecular Weight 484.651 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)(CCC=C(c1cc(OC)c(cc1C)C(C)C)C(=O)OC)(C)C
SPLASH splash10-053u-9000200000-a1b122e7d25e5c9f7834
Source of Spectrum KC-0-3534-12
Wiley ID 823893