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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 1b8AMM6JaC
Name Octane-2-thiol
Comments Removed - expert review: contamination (CDCl3); A corrected record has been addded having SpectrumID: 1821357
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-ced1ddd68d149309ce17
Source of Spectrum SO-0-374-0
Synonyms 2-Octanethiol
Wiley ID 1545589