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3-Mercapto-5-methyl-1,4-hexanediol
SpectraBase Compound ID 6Q5Mokh4e4p
InChI InChI=1S/C7H16O2S/c1-5(2)7(9)6(10)3-4-8/h5-10H,3-4H2,1-2H3
InChIKey NGWPPSBVVSKAMK-UHFFFAOYSA-N
Mol Weight 164.26 g/mol
Molecular Formula C7H16O2S
Exact Mass 164.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBhHf0cUIRC
Name 3-Mercapto-5-methyl-1,4-hexanediol
CAS Registry Number 75732-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O2S
InChI InChI=1S/C7H16O2S/c1-5(2)7(9)6(10)3-4-8/h5-10H,3-4H2,1-2H3
InChIKey NGWPPSBVVSKAMK-UHFFFAOYSA-N
Molecular Weight 164.263 g/mol
SMILES SC(CCO)C(C(C)C)O
SPLASH splash10-0aov-9100000000-26d5019fd48aa230cd88
Source of Spectrum J-46-105-0
Synonyms 5-Methyl-3-sulfanyl-1,4-hexanediol
Wiley ID 1159929