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3-Mercapto-3-methylbutan-1-ol
SpectraBase Compound ID 8360ZW5bbBc
InChI InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
InChIKey GBCGIJAYTBMFHI-UHFFFAOYSA-N
Mol Weight 120.21 g/mol
Molecular Formula C5H12OS
Exact Mass 120.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ldeyUVk3gn
Name Butan-1-ol <3-mercapto-, 3-methyl->
Source of Sample SAFC Cat.no. W385409
CAS Registry Number 34300-94-2
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 120.060886179 u
Formula C5H12OS
InChI InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
InChIKey GBCGIJAYTBMFHI-UHFFFAOYSA-N
Molecular Weight 120.210 g/mol
Number of Peaks 50
RI1 975
RI2 647
SMILES SC(CCO)(C)C
SPLASH splash10-00kf-9000000000-92409cfb98e761a82183
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Butanol, 3-mercapto-3-methyl-
Wiley ID LM_FFNSC3_1838