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3-(butylthio)propane-1,2-diol
SpectraBase Compound ID Cjkwdwl41tT
InChI InChI=1S/C7H16O2S/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3
InChIKey GXPOMGCOBZJZAW-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 EVylVcmR6gG
Name 3-(butylthio)propane-1,2-diol
Alternate Name(s) 1,2-Propanediol, 3-(butylthio)- 3-(butylsulfanyl)propane-1,2-diol 3-Butylsulfanylpropane-1,2-diol
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Formula C7H16O2S
InChI InChI=1S/C7H16O2S/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3
InChIKey GXPOMGCOBZJZAW-UHFFFAOYSA-N
Molecular Weight 164.263 g/mol
SMILES OC(CO)CSCCCC
SPLASH splash10-052k-9200000000-a2a9aafe2374d758ef62
Source of Spectrum IY-2-4926-1
Wiley ID 1657244