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(3R,4R)-3-Hydroxy-4,5,5-trimethyl-hexanedithioic acid methyl ester
SpectraBase Compound ID 9HJCnzvULgM
InChI InChI=1S/C10H20OS2/c1-7(10(2,3)4)8(11)6-9(12)13-5/h7-8,11H,6H2,1-5H3/t7-,8+/m0/s1
InChIKey VGILTHNFEYFRFG-JGVFFNPUSA-N
Mol Weight 220.39 g/mol
Molecular Formula C10H20OS2
Exact Mass 220.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dKPoX3czzB
Name (3R,4R)-3-Hydroxy-4,5,5-trimethyl-hexanedithioic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20OS2
InChI InChI=1S/C10H20OS2/c1-7(10(2,3)4)8(11)6-9(12)13-5/h7-8,11H,6H2,1-5H3/t7-,8+/m0/s1
InChIKey VGILTHNFEYFRFG-JGVFFNPUSA-N
Molecular Weight 220.389 g/mol
SMILES O[C@](CC(=S)SC)([C@@](C(C)(C)C)(C)[H])[H]
SPLASH splash10-052r-9300000000-13d8c20e9e788f58e6b2
Source of Spectrum F-48-4142-8
Synonyms (3R,4R)-3-hydroxy-4,5,5-trimethylhexanedithioic acid methyl ester Methyl (3R,4R)-3-hydroxy-4,5,5-trimethylhexanedithioate Methyl (3R,4R)-3-hydroxy-4,5,5-trimethyl-hexanedithioate
Wiley ID 1219459