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5-[(E,E)-7-(-3-Chloro-5-hydroxymethyl-2,6-dimethoxy-4-methylphenyl)-1,5-dimethylhepta-1,5-dienyl]-4,5-dihydro-2,2-dimethyl-3(2H)-furanone

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5-[(E,E)-7-(-3-Chloro-5-hydroxymethyl-2,6-dimethoxy-4-methylphenyl)-1,5-dimethylhepta-1,5-dienyl]-4,5-dihydro-2,2-dimethyl-3(2H)-furanone
SpectraBase Compound ID 1mUU3AQPrcX
InChI InChI=1S/C25H35ClO5/c1-15(9-8-10-16(2)20-13-21(28)25(4,5)31-20)11-12-18-23(29-6)19(14-27)17(3)22(26)24(18)30-7/h10-11,20,27H,8-9,12-14H2,1-7H3/b15-11+,16-10+
InChIKey GZPALYUPYKXVHI-YUCRUYSYSA-N
Mol Weight 451.0 g/mol
Molecular Formula C25H35ClO5
Exact Mass 450.217302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 482s57FgUm3
Name 5-[(E,E)-7-(-3-Chloro-5-hydroxymethyl-2,6-dimethoxy-4-methylphenyl)-1,5-dimethylhepta-1,5-dienyl]-4,5-dihydro-2,2-dimethyl-3(2H)-furanone
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Formula C25H35ClO5
InChI InChI=1S/C25H35ClO5/c1-15(9-8-10-16(2)20-13-21(28)25(4,5)31-20)11-12-18-23(29-6)19(14-27)17(3)22(26)24(18)30-7/h10-11,20,27H,8-9,12-14H2,1-7H3/b15-11+,16-10+
InChIKey GZPALYUPYKXVHI-YUCRUYSYSA-N
Molecular Weight 451.003 g/mol
SMILES OCc1c(c(c(c(c1C)Cl)OC)C\C=C\(CC\C=C\(C1OC(C)(C)C(C1)=O)C)C)OC
SPLASH splash10-06di-9060000000-89e7680b1715b4cbe238
Source of Spectrum AJ-68-2732-20
Synonyms 5-{(1E,5E)-7-[3-chloro-5-(hydroxymethyl)-2,6-dimethoxy-4-methylphenyl]-1,5-dimethyl-1,5-heptadienyl}-2,2-dimethyldihydro-3(2H)-furanone
Wiley ID 773358