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5-Methyl-5-phenylsulfanylhexan-2,4-diol isomer
SpectraBase Compound ID FD6vw2K97qO
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/t10-,12+/m1/s1
InChIKey NFEHFQKJEVDLDG-PWSUYJOCSA-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 2Adgeju8ew4
Name 5-Methyl-5-phenylsulfanylhexan-2,4-diol isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/t10-,12+/m1/s1
InChIKey NFEHFQKJEVDLDG-PWSUYJOCSA-N
Molecular Weight 240.361 g/mol
SMILES O[C@@](C[C@@](C(Sc1ccccc1)(C)C)(O)[H])(C)[H]
SPLASH splash10-0w90-2900000000-00aee92ee9391a30c16c
Source of Spectrum K-2001-2995-78
Synonyms (2R,4S)-5-methyl-5-phenylsulfanylhexane-2,4-diol (2R,4S)-5-methyl-5-phenylsulfanyl-hexane-2,4-diol
Wiley ID 1580044