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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQF462u1PRI
Name 1-OCTADECANETHIOL
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 204-210C/11mm
CAS Registry Number 2885-00-9
Copyright Copyright © 1980, 1981-2024 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
Melting Point 29-31C
Molecular Weight 286.57
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Web Link http://www.cdc.gov/niosh/npg/npgd0469.html