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(2S,3S,4S)-2,6-Dimethyl-4-phenylsulfanylheptane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(2S,3S,4S)-2,6-Dimethyl-4-phenylsulfanylheptane-1,3-diol
SpectraBase Compound ID D0hZRNw5bss
InChI InChI=1S/C15H24O2S/c1-11(2)9-14(15(17)12(3)10-16)18-13-7-5-4-6-8-13/h4-8,11-12,14-17H,9-10H2,1-3H3/t12-,14?,15+/m0/s1
InChIKey IRCKQLPFJMXJEG-XSDATEAUSA-N
Mol Weight 268.41 g/mol
Molecular Formula C15H24O2S
Exact Mass 268.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tcTSp0ge9l
Name (2S,3S,4S)-2,6-Dimethyl-4-phenylsulfanylheptane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2S
InChI InChI=1S/C15H24O2S/c1-11(2)9-14(15(17)12(3)10-16)18-13-7-5-4-6-8-13/h4-8,11-12,14-17H,9-10H2,1-3H3/t12-,14?,15+/m0/s1
InChIKey IRCKQLPFJMXJEG-XSDATEAUSA-N
Molecular Weight 268.415 g/mol
SMILES OC[C@@]([C@@]([C@@](Sc1ccccc1)(CC(C)C)[H])(O)[H])(C)[H]
SPLASH splash10-0229-0900000000-03be00db599b78451fa4
Source of Spectrum KC-0-544-45
Wiley ID 830007