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(2S,3S,4S)-2-Methyl-4-phenylsulfanyl-hexane-1,3-diol
SpectraBase Compound ID 54nihttafxH
InChI InChI=1S/C13H20O2S/c1-3-12(13(15)10(2)9-14)16-11-7-5-4-6-8-11/h4-8,10,12-15H,3,9H2,1-2H3/t10-,12-,13-/m0/s1
InChIKey XEOJXOMAJJQXAE-DRZSPHRISA-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 IdTtx0YJfeA
Name (2S,3S,4S)-2-Methyl-4-phenylsulfanyl-hexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2S
InChI InChI=1S/C13H20O2S/c1-3-12(13(15)10(2)9-14)16-11-7-5-4-6-8-11/h4-8,10,12-15H,3,9H2,1-2H3/t10-,12-,13-/m0/s1
InChIKey XEOJXOMAJJQXAE-DRZSPHRISA-N
Molecular Weight 240.361 g/mol
SMILES OC[C@@]([C@@]([C@@](Sc1ccccc1)(CC)[H])(O)[H])(C)[H]
SPLASH splash10-0udi-0900000000-7080c1280d1c4325c447
Source of Spectrum KC-0-545-48
Synonyms (2S,3S,4S)-2-methyl-4-phenylsulfanylhexane-1,3-diol
Wiley ID 830001