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5-Methyl-5-phenylsulfanylhexan-2,4-diol
SpectraBase Compound ID KbsuzxtW6Ef
InChI InChI=1S/C13H20O2S/c1-10(14)9-12(15)13(2,3)16-11-7-5-4-6-8-11/h4-8,10,12,14-15H,9H2,1-3H3
InChIKey NFEHFQKJEVDLDG-UHFFFAOYSA-N
Mol Weight 240.36 g/mol
Molecular Formula C13H20O2S
Exact Mass 240.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhnzwRFmAHO
Name 5-Methyl-5-phenylsulfanylhexan-2,4-diol
Alternate Name(s) 5-Methyl-5-(phenylsulfanyl)-2,4-hexanediol
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Formula C13H20O2S
InChI InChI=1S/C13H20O2S/c1-10(14)9-12(15)13(2,3)16-11-7-5-4-6-8-11/h4-8,10,12,14-15H,9H2,1-3H3
InChIKey NFEHFQKJEVDLDG-UHFFFAOYSA-N
Molecular Weight 240.361 g/mol
SMILES OC(CC(C)O)C(C)(Sc1ccccc1)C
SPLASH splash10-0w29-2920000000-a69dd0beebb2ca3cc431
Source of Spectrum K-2001-2995-77
Wiley ID 1580045