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4-Hydroxy-5-methyl-5-phenylsulfanylhexan-2-one
SpectraBase Compound ID 2k3Pkg43kq1
InChI InChI=1S/C13H18O2S/c1-10(14)9-12(15)13(2,3)16-11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3
InChIKey ZTHVROTUPUKSKA-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TFwBzdTNfE
Name 4-Hydroxy-5-methyl-5-phenylsulfanylhexan-2-one
Alternate Name(s) 4-Hydroxy-5-methyl-5-(phenylsulfanyl)-2-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-10(14)9-12(15)13(2,3)16-11-7-5-4-6-8-11/h4-8,12,15H,9H2,1-3H3
InChIKey ZTHVROTUPUKSKA-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES OC(CC(C)=O)C(C)(Sc1ccccc1)C
SPLASH splash10-0f79-0390000000-2c31a2684e6b6125a554
Source of Spectrum K-2001-2995-76
Wiley ID 1580046