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1-Octanethiol

View entire compound with spectra: 9 NMR, 9 FTIR, 3 Raman, 12 MS (GC), and 2 Near IR

1-Octanethiol
SpectraBase Compound ID JyVYuNwwLvX
InChI InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey KZCOBXFFBQJQHH-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 1NoHB3g0WQm
Name 1-Octanethiol
CAS Registry Number 111-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H18S
InChI InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey KZCOBXFFBQJQHH-UHFFFAOYSA-N
Molecular Weight 146.292 g/mol
SMILES SCCCCCCCC
SPLASH splash10-054o-9000000000-efdc563e0e44568d8cff
Source of Spectrum AA-0-836-3
Synonyms 1-Mercaptooctane 1-Octylthiol n-Octanethiol N-octanethiolate n-Octyl mercaptan n-Octylthiol Octane-1-thiol Octanethiol Octanethiol-(1) Octyl mercaptan Octylthiol AI3-06557 EINECS 203-918-1 HSDB 5552 NSC 41903
Wiley ID 1144257