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2-Methyl-6-oxo-7-(phenylthio)heptan-3-ol
SpectraBase Compound ID 1vL6QuPz0Dd
InChI InChI=1S/C14H20O2S/c1-11(2)14(16)9-8-12(15)10-17-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3
InChIKey GCQDINPPSQIPIS-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SvSVoIl0Ij
Name 2-Methyl-6-oxo-7-(phenylthio)heptan-3-ol
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-11(2)14(16)9-8-12(15)10-17-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3
InChIKey GCQDINPPSQIPIS-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES OC(CCC(CSc1ccccc1)=O)C(C)C
SPLASH splash10-001i-0090000000-9959526a7271a51f641f
Source of Spectrum J-60-8386-6
Synonyms 5-hydroxy-6-methyl-1-(phenylsulfanyl)-2-heptanone
Wiley ID 1255519