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2-Methyl-2-[2'-methyl-1'-(phenylthio)propyl]-1-cycohexanone
SpectraBase Compound ID A5gtyLPSBEZ
InChI InChI=1S/C17H24OS/c1-13(2)16(19-14-9-5-4-6-10-14)17(3)12-8-7-11-15(17)18/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3
InChIKey QEEUZPJKLXXODL-UHFFFAOYSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFEBauEpqqR
Name 2-Methyl-2-[2'-methyl-1'-(phenylthio)propyl]-1-cycohexanone
Comments Less than 3 mono-isotopic peaks
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Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-13(2)16(19-14-9-5-4-6-10-14)17(3)12-8-7-11-15(17)18/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3
InChIKey QEEUZPJKLXXODL-UHFFFAOYSA-N
Molecular Weight 276.438 g/mol
SMILES C1(C(Sc2ccccc2)C(C)C)(C(=O)CCCC1)C
SPLASH splash10-014i-0920000000-668aef5ecc446e86892f
Source of Spectrum U-1993-52-2
Synonyms 2-Methyl-2-[2'-methyl-1'-(phenylthio)propyl]-1-cyclohexanone
Wiley ID 764792