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1-Dodecanethiol

View entire compound with spectra: 10 NMR, 8 FTIR, 1 Raman, 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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bh7KNgoNmqV
Name 1-Dodecanethiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number D221406
CAS Registry Number 112-55-0
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26S
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
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_VP-FTIR_004401