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2-[3'-Hydroxy-4'-tosyl-3'-buten-1'-yl]-1-(1"-methyl-1",3"-butadien-1"-yl)cyclohexane
SpectraBase Compound ID FocOId8R3Ha
InChI InChI=1S/C18H18O4S2/c1-15-5-9-17(10-6-15)23(19,20)13-3-4-14-24(21,22)18-11-7-16(2)8-12-18/h3-14H,1-2H3/b13-3+,14-4+
InChIKey SMDPFCZEMNOJPN-NPJRDEIVSA-N
Mol Weight 362.46 g/mol
Molecular Formula C18H18O4S2
Exact Mass 362.064651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WLw48XVJD4
Name 2-[3'-Hydroxy-4'-tosyl-3'-buten-1'-yl]-1-(1"-methyl-1",3"-butadien-1"-yl)cyclohexane
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Formula C18H18O4S2
InChI InChI=1S/C18H18O4S2/c1-15-5-9-17(10-6-15)23(19,20)13-3-4-14-24(21,22)18-11-7-16(2)8-12-18/h3-14H,1-2H3/b13-3+,14-4+
InChIKey SMDPFCZEMNOJPN-NPJRDEIVSA-N
Molecular Weight 362.458 g/mol
SMILES c1(S(\C=C\C=C\S(c2ccc(cc2)C)(=O)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-000i-0900000000-573b6430c671f60ce70f
Source of Spectrum U1-1999-1547-2
Synonyms 1-Methyl-4-{[(1E,3E)-4-[(4-methylphenyl)sulfonyl]buta-1,3-dien-1-yl]sulfonyl}benzene 1-Methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene 1-Methyl-4-[(1E,3E)-4-(p-tolylsulfonyl)buta-1,3-dienyl]sulfonyl-benzene 1-Methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonyl-benzene
Wiley ID 753179