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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AM42rPyDlPZ
Name 1-Octanethiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 131245
CAS Registry Number 111-88-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity >=97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms n-Octyl mercaptan Mercaptan C8 Octyl mercaptan
Wiley ID SIAL_13CNMR_000899