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7-[(E)-6-(benzenesulfonyl)-4,4-dimethylhex-5-enyl]-4-methoxy-3-propan-2-yl-7-bicyclo[4.2.0]octa-1,3,5-trienecarboxylic acid methyl ester
SpectraBase Compound ID DE2ACtyMd4K
InChI InChI=1S/C28H36O5S/c1-20(2)23-17-21-19-28(26(29)33-6,24(21)18-25(23)32-5)14-10-13-27(3,4)15-16-34(30,31)22-11-8-7-9-12-22/h7-9,11-12,15-18,20H,10,13-14,19H2,1-6H3/b16-15+
InChIKey HIZQXJGDRJNZJJ-FOCLMDBBSA-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 4mr5IVDEeKO
Name 7-[(E)-6-(benzenesulfonyl)-4,4-dimethylhex-5-enyl]-4-methoxy-3-propan-2-yl-7-bicyclo[4.2.0]octa-1,3,5-trienecarboxylic acid methyl ester
Alternate Name(s) 7-[(E)-6-besyl-4,4-dimethyl-hex-5-enyl]-3-isopropyl-4-methoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid methyl ester Methyl 7-[(E)-4,4-dimethyl-6-(phenylsulfonyl)hex-5-enyl]-4-methoxy-3-propan-2-yl-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate Methyl 7-[(E)-6-(benzenesulfonyl)-4,4-dimethyl-hex-5-enyl]-3-isopropyl-4-methoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate Methyl 7-[(E)-6-(benzenesulfonyl)-4,4-dimethylhex-5-enyl]-4-methoxy-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
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Formula C28H36O5S
InChI InChI=1S/C28H36O5S/c1-20(2)23-17-21-19-28(26(29)33-6,24(21)18-25(23)32-5)14-10-13-27(3,4)15-16-34(30,31)22-11-8-7-9-12-22/h7-9,11-12,15-18,20H,10,13-14,19H2,1-6H3/b16-15+
InChIKey HIZQXJGDRJNZJJ-FOCLMDBBSA-N
Molecular Weight 484.651 g/mol
SMILES C1(c2cc(OC)c(cc2C1)C(C)C)(C(=O)OC)CCCC(\C=C\S(=O)(=O)c1ccccc1)(C)C
SPLASH splash10-0041-3720900000-707cc47c82abeac278b5
Source of Spectrum KC-0-3534-11
Wiley ID 823895