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(2Z)-2-(5-methoxy-2-methyl-4-propan-2-yl-phenyl)-7-(phenylsulfonyl)octa-2,7-dienenitrile
SpectraBase Compound ID a36VIE0wwz
InChI InChI=1S/C25H29NO3S/c1-18(2)23-15-19(3)24(16-25(23)29-5)21(17-26)12-10-9-11-20(4)30(27,28)22-13-7-6-8-14-22/h6-8,12-16,18H,4,9-11H2,1-3,5H3/b21-12+
InChIKey DOJKTXWPZYFCHI-CIAFOILYSA-N
Mol Weight 423.57 g/mol
Molecular Formula C25H29NO3S
Exact Mass 423.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9DGNdSt76Y
Name (2Z)-2-(5-methoxy-2-methyl-4-propan-2-yl-phenyl)-7-(phenylsulfonyl)octa-2,7-dienenitrile
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Formula C25H29NO3S
InChI InChI=1S/C25H29NO3S/c1-18(2)23-15-19(3)24(16-25(23)29-5)21(17-26)12-10-9-11-20(4)30(27,28)22-13-7-6-8-14-22/h6-8,12-16,18H,4,9-11H2,1-3,5H3/b21-12+
InChIKey DOJKTXWPZYFCHI-CIAFOILYSA-N
Molecular Weight 423.571 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(=C)CCC\C=C\(c1cc(OC)c(cc1C)C(C)C)C#N
SPLASH splash10-05fu-9110200000-8d5729079d360785b74d
Source of Spectrum KC-0-3535-15
Synonyms (2Z)-7-(benzenesulfonyl)-2-(4-isopropyl-5-methoxy-2-methyl-phenyl)octa-2,7-dienenitrile (2Z)-7-(benzenesulfonyl)-2-(5-methoxy-2-methyl-4-propan-2-ylphenyl)octa-2,7-dienenitrile (2Z)-7-besyl-2-(4-isopropyl-5-methoxy-2-methyl-phenyl)octa-2,7-dienenitrile
Wiley ID 823885