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1-Dodecanethiol

View entire compound with spectra: 10 NMR, 9 FTIR, 9 MS (GC), and 2 Near IR

1-Dodecanethiol
SpectraBase Compound ID EOO4aqmbe8o
InChI InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey WNAHIZMDSQCWRP-UHFFFAOYSA-N
Mol Weight 202.4 g/mol
Molecular Formula C12H26S
Exact Mass 202.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1o1jobbnUHP
Name 1-DODECANETHIOL
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 202.175522011 u
Formula C12H26S
InChI InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey WNAHIZMDSQCWRP-UHFFFAOYSA-N
Molecular Weight 202.400 g/mol
Nominal Mass 202 u
Number of Peaks 94
SMILES C(CCCCCCCCCS)CC
SPLASH splash10-0a4l-9000000000-a08e0595686efbe2fed5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000983