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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wkk1DxPpKk
Name 1-Hexanethiol
Alternate Name(s) 1-Hexylthiol 1-Mercaptohexane Hexan-1-thiol Hexane-1-thiol Hexanethiol Hexyl mercaptan Hexylthiol n-Hexyl mercaptan n-Hexylthiol BRN 1731295 EINECS 203-857-0 USAF EK-4628
CAS Registry Number 111-31-9
Copyright Copyright © 2020-2024 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
Molecular Weight 118.238 g/mol
SMILES CCCCCCS
SPLASH splash10-052f-9000000000-012150ef350a1aa963d5
Source of Spectrum LQ-1992-1961-0
Wiley ID 1126589