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6'-hydroxy-3'-isopropyl-2'-methylacetophenone
SpectraBase Compound ID 9cyVsxpysUq
InChI InChI=1S/C12H16O2/c1-7(2)10-5-6-11(14)12(8(10)3)9(4)13/h5-7,14H,1-4H3
InChIKey ORNXQZQHAIIRST-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fl0Tldadn9h
Name 1-(6-hydroxy-3-isopropyl-2-methylphenyl)ethanone
Alternate Name(s) 1-(6-hydroxy-2-methyl-3-propan-2-ylphenyl)ethanone 1-(2-methyl-6-oxidanyl-3-propan-2-yl-phenyl)ethanone
CAS Registry Number 105337-35-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-7(2)10-5-6-11(14)12(8(10)3)9(4)13/h5-7,14H,1-4H3
InChIKey ORNXQZQHAIIRST-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES Oc1c(c(c(cc1)C(C)C)C)C(=O)C
SPLASH splash10-004i-0900000000-c78178efaa4f91d95289
Source of Spectrum AH-121-236-31
Wiley ID 1188767