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(2S,3S)-2,4-dimethyl-4-(phenylthio)pentane-1,3-diol
SpectraBase Compound ID Ly3UjKLyrsp
InChI InChI=1S/C13H20O2S/c1-10(9-14)12(15)13(2,3)16-11-7-5-4-6-8-11/h4-8,10,12,14-15H,9H2,1-3H3/t10-,12-/m0/s1
InChIKey PTSWGFLUKHXGBG-JQWIXIFHSA-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 iGcHcJ5r4f
Name (2S,3S)-2,4-dimethyl-4-(phenylthio)pentane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2S
InChI InChI=1S/C13H20O2S/c1-10(9-14)12(15)13(2,3)16-11-7-5-4-6-8-11/h4-8,10,12,14-15H,9H2,1-3H3/t10-,12-/m0/s1
InChIKey PTSWGFLUKHXGBG-JQWIXIFHSA-N
Molecular Weight 240.361 g/mol
SMILES OC[C@@]([C@@](C(Sc1ccccc1)(C)C)(O)[H])(C)[H]
SPLASH splash10-0w33-0930000000-ca85038ee697a9207419
Source of Spectrum KC-0-540-29
Synonyms (2S,3S)-2,4-dimethyl-4-phenylsulfanylpentane-1,3-diol
Wiley ID 830033