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3'-tert-butyl-2'-hydroxy-5'-isopropyl-6'-methylacetophenone
SpectraBase Compound ID 4YA1B1q8vaX
InChI InChI=1S/C16H24O2/c1-9(2)12-8-13(16(5,6)7)15(18)14(10(12)3)11(4)17/h8-9,18H,1-7H3
InChIKey NPDPEBUOCYBVGY-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBLSQjvcTvD
Name 1-(3-tert-butyl-2-hydroxy-5-isopropyl-6-methylphenyl)ethanone
CAS Registry Number 129375-13-9
Comments Less than 3 mono-isotopic peaks
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Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-9(2)12-8-13(16(5,6)7)15(18)14(10(12)3)11(4)17/h8-9,18H,1-7H3
InChIKey NPDPEBUOCYBVGY-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES Oc1c(c(c(cc1C(C)(C)C)C(C)C)C)C(=O)C
SPLASH splash10-001i-0090000000-9f31fbc28923dae89176
Source of Spectrum AH-121-235-28
Synonyms 1-(3-tert-butyl-2-hydroxy-6-methyl-5-propan-2-ylphenyl)ethanone 1-(5-tert-butyl-2-methyl-6-oxidanyl-3-propan-2-yl-phenyl)ethanone
Wiley ID 1251661