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6'-hydroxy-3'-isopropyl-2'-methylheptanophenone
SpectraBase Compound ID HXwSD4f6sCe
InChI InChI=1S/C17H26O2/c1-5-6-7-8-9-15(18)17-13(4)14(12(2)3)10-11-16(17)19/h10-12,19H,5-9H2,1-4H3
InChIKey FQLCUBTZRKOWEO-UHFFFAOYSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFfzcBd7t3P
Name 1-Heptanone, 1-[6-hydroxy-2-methyl-3-(1-methylethyl)phenyl]-
Alternate Name(s) 1-(6-hydroxy-3-isopropyl-2-methylphenyl)-1-heptanone 1-[6-hydroxy-2-methyl-3-(1-methylethyl)phenyl]-1-heptanone 1-(6-hydroxy-2-methyl-3-propan-2-ylphenyl)-1-heptanone 1-(6-hydroxy-2-methyl-3-propan-2-ylphenyl)heptan-1-one 1-(2-methyl-6-oxidanyl-3-propan-2-yl-phenyl)heptan-1-one
CAS Registry Number 129375-15-1
Comments Less than 3 mono-isotopic peaks
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Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-5-6-7-8-9-15(18)17-13(4)14(12(2)3)10-11-16(17)19/h10-12,19H,5-9H2,1-4H3
InChIKey FQLCUBTZRKOWEO-UHFFFAOYSA-N
Molecular Weight 262.393 g/mol
SMILES Oc1c(c(c(cc1)C(C)C)C)C(=O)CCCCCC
SPLASH splash10-004i-0910000000-2a4ee14f868e250d2418
Source of Spectrum AH-121-236-32
Wiley ID 1266330