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1-Octadecanethiol

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

1-Octadecanethiol
SpectraBase Compound ID 1HADLRBXjFJ
InChI InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKey QJAOYSPHSNGHNC-UHFFFAOYSA-N
Mol Weight 286.6 g/mol
Molecular Formula C18H38S
Exact Mass 286.269422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SyZQLon4Z0
Name 1-Octadecanethiol
CAS Registry Number 2885-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H38S
InChI InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKey QJAOYSPHSNGHNC-UHFFFAOYSA-N
Molecular Weight 286.562 g/mol
SMILES SCCCCCCCCCCCCCCCCCC
SPLASH splash10-0a4l-9100000000-b8bb05ae106359baf7b3
Synonyms 1-Mercaptooctadecane 1-Octadecanthiol n-Octadecyl mercaptan Octadecane-1-thiol Octadecanethiol Octadecyl mercaptan Stearyl mercaptan EINECS 220-744-1 NSC 5545
Wiley ID 1493342