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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaZMisbrYXg
Name 1-HEXADECANETHIOL
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 128-130C/0.1mm
CAS Registry Number 2917-26-2
Copyright Copyright © 1980, 1981-2024 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
Melting Point 19-21C
Molecular Weight 258.51
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Web Link http://www.cdc.gov/niosh/npg/npgd0318.html