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1-Hexanethiol

View entire compound with spectra: 5 NMR, 6 FTIR, 1 Raman, 9 MS (GC), and 2 Near IR

1-Hexanethiol
SpectraBase Compound ID DbPoddJKJSL
InChI InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey PMBXCGGQNSVESQ-UHFFFAOYSA-N
Mol Weight 118.24 g/mol
Molecular Formula C6H14S
Exact Mass 118.081622 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2GAdbh0Rp2O
Name 1-Hexanethiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 234192
CAS Registry Number 111-31-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H14S
InChI InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey PMBXCGGQNSVESQ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Mercaptohexane Hexyl mercaptan MCH Mercaptan C6
Wiley ID SIAL_13CNMR_003666