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anti,anti-(2R,4S,5R)-5-methyl-5-(sulfanyl)heptane-2,4-diol
SpectraBase Compound ID 2Nl78LYF9fz
InChI InChI=1S/C8H18O2S/c1-4-8(3,11)7(10)5-6(2)9/h6-7,9-11H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKey BVQAUXCRFDOCKW-GJMOJQLCSA-N
Mol Weight 178.29 g/mol
Molecular Formula C8H18O2S
Exact Mass 178.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26WzwNWk5Un
Name anti,anti-(2R,4S,5R)-5-methyl-5-(sulfanyl)heptane-2,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18O2S
InChI InChI=1S/C8H18O2S/c1-4-8(3,11)7(10)5-6(2)9/h6-7,9-11H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
InChIKey BVQAUXCRFDOCKW-GJMOJQLCSA-N
Molecular Weight 178.290 g/mol
SMILES O[C@@](C[C@@]([C@](S)(CC)C)(O)[H])(C)[H]
SPLASH splash10-004i-9800000000-3e7321d9346b8c7f1da8
Source of Spectrum K-2002-2286-30
Synonyms (2R,4S,5R)-5-methyl-5-sulfanyl-2,4-heptanediol anti,anti-(2RS,4SR,5RS)-5-methyl-5-(sulfanyl)heptane-2,4-diol
Wiley ID 1613166