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1-Octanone, 1-(2,5-dihydroxy-3-octylphenyl)-
SpectraBase Compound ID HCNPamSHX5N
InChI InChI=1S/C22H36O3/c1-3-5-7-9-11-12-14-18-16-19(23)17-20(22(18)25)21(24)15-13-10-8-6-4-2/h16-17,23,25H,3-15H2,1-2H3
InChIKey QSIHWXDSKDYKLZ-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg288H9SDpR
Name 1-Octanone, 1-(2,5-dihydroxy-3-octylphenyl)-
Alternate Name(s) 1-(2,5-dihydroxy-3-octylphenyl)octan-1-one 1-(2,5-dihydroxy-3-octylphenyl)-1-octanone 1-[3-octyl-2,5-bis(oxidanyl)phenyl]octan-1-one
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Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-3-5-7-9-11-12-14-18-16-19(23)17-20(22(18)25)21(24)15-13-10-8-6-4-2/h16-17,23,25H,3-15H2,1-2H3
InChIKey QSIHWXDSKDYKLZ-UHFFFAOYSA-N
Molecular Weight 348.527 g/mol
SMILES Oc1cc(c(c(c1)C(=O)CCCCCCC)O)CCCCCCCC
SPLASH splash10-000t-5379000000-07791897e9d06f7b42ad
Source of Spectrum JX-2015-3-1023
Wiley ID 1724541