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2-(4-Isopropyl-5-methoxy-2-methylphenyl)-6,6-dimethyl-8-phenylsulfonylocta-2,7-dienenitrile
SpectraBase Compound ID 2w5xOC06dou
InChI InChI=1S/C27H33NO3S/c1-20(2)24-17-21(3)25(18-26(24)31-6)22(19-28)11-10-14-27(4,5)15-16-32(29,30)23-12-8-7-9-13-23/h7-9,11-13,15-18,20H,10,14H2,1-6H3/b16-15+,22-11-
InChIKey REOJZZBOUPZPJP-JCAXBLPDSA-N
Mol Weight 451.6 g/mol
Molecular Formula C27H33NO3S
Exact Mass 451.218115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyXkzhq65xZ
Name 2-(4-Isopropyl-5-methoxy-2-methylphenyl)-6,6-dimethyl-8-phenylsulfonylocta-2,7-dienenitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33NO3S
InChI InChI=1S/C27H33NO3S/c1-20(2)24-17-21(3)25(18-26(24)31-6)22(19-28)11-10-14-27(4,5)15-16-32(29,30)23-12-8-7-9-13-23/h7-9,11-13,15-18,20H,10,14H2,1-6H3/b16-15+,22-11-
InChIKey REOJZZBOUPZPJP-JCAXBLPDSA-N
Molecular Weight 451.625 g/mol
SMILES C(\C=C\S(=O)(=O)c1ccccc1)(CC\C=C/(c1cc(OC)c(cc1C)C(C)C)C#N)(C)C
SPLASH splash10-0f6x-3181900000-94baac27e32443230031
Source of Spectrum KC-0-3533-9
Synonyms (2E,7E)-2-(4-isopropyl-5-methoxy-2-methylphenyl)-6,6-dimethyl-8-(phenylsulfonyl)-2,7-octadienenitrile (2E,7E)-8-(benzenesulfonyl)-2-(5-methoxy-2-methyl-4-propan-2-ylphenyl)-6,6-dimethylocta-2,7-dienenitrile (2E,7E)-8-(benzenesulfonyl)-2-(4-isopropyl-5-methoxy-2-methyl-phenyl)-6,6-dimethyl-octa-2,7-dienenitrile (2E,7E)-2-(5-methoxy-2-methyl-4-propan-2-yl-phenyl)-6,6-dimethyl-8-(phenylsulfonyl)octa-2,7-dienenitrile
Wiley ID 823899