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2-octanethiol
SpectraBase Compound ID 5gm8lvisFit
InChI InChI=1S/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey BZXFEMZFRLXGCY-UHFFFAOYSA-N
Mol Weight 146.29 g/mol
Molecular Formula C8H18S
Exact Mass 146.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4P6SNGR4Lbh
Name Octane-2-thiol
Alternate Name(s) 2-Octanethiol
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1545589 moved to the Legacy library
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Formula C8H18S
InChI InChI=1S/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey BZXFEMZFRLXGCY-UHFFFAOYSA-N
Molecular Weight 146.292 g/mol
SMILES SC(C)CCCCCC
SPLASH splash10-08fr-9200000000-6e8582cc26f79c2813da
Source of Spectrum SO-0-374-0
Wiley ID 1821357