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3-Mercapto-1,4-dodecanediol

View entire compound with spectra: 1 MS (GC)

3-Mercapto-1,4-dodecanediol
SpectraBase Compound ID 40nqILs4pzO
InChI InChI=1S/C12H26O2S/c1-2-3-4-5-6-7-8-11(14)12(15)9-10-13/h11-15H,2-10H2,1H3
InChIKey HURUPUNEYWEOLB-UHFFFAOYSA-N
Mol Weight 234.4 g/mol
Molecular Formula C12H26O2S
Exact Mass 234.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kAuwY3aO2Q
Name 3-Mercapto-1,4-dodecanediol
Alternate Name(s) 3-Mercapto-1,4-docecanediol 3-sulfanyl-1,4-dodecanediol
CAS Registry Number 75751-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26O2S
InChI InChI=1S/C12H26O2S/c1-2-3-4-5-6-7-8-11(14)12(15)9-10-13/h11-15H,2-10H2,1H3
InChIKey HURUPUNEYWEOLB-UHFFFAOYSA-N
Molecular Weight 234.398 g/mol
SMILES SC(CCO)C(O)CCCCCCCC
SPLASH splash10-00di-9000000000-d3e826c9ce3cf2558833
Source of Spectrum J-46-105-0
Wiley ID 1235813