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1-Hexadecanethiol

View entire compound with spectra: 4 NMR, 4 FTIR, 1 MS (GC), and 2 Near IR

1-Hexadecanethiol
SpectraBase Compound ID BWFaVFWzeNa
InChI InChI=1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKey ORTRWBYBJVGVQC-UHFFFAOYSA-N
Mol Weight 258.5 g/mol
Molecular Formula C16H34S
Exact Mass 258.238122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuMxqfDLpLd
Name 1-Hexadecanethiol
Alternate Name(s) Cetyl mercaptan Hexadecane-1-thiol Hexadecanethiol Hexadecyl mercaptan n-Hexadecanethiol n-Hexadecyl mercaptan EINECS 220-846-6 NSC 57866
CAS Registry Number 2917-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H34S
InChI InChI=1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKey ORTRWBYBJVGVQC-UHFFFAOYSA-N
Molecular Weight 258.508 g/mol
SMILES SCCCCCCCCCCCCCCCC
SPLASH splash10-052f-9000000000-f9ef126a726e59e66ea1
Source of Spectrum W5-22914-0-0
Wiley ID 1262137