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3-Octylthiophene

View entire compound with spectra: 3 NMR, 6 FTIR, 1 Raman, and 2 MS (GC)

3-Octylthiophene
SpectraBase Compound ID DPHrvSb3vXP
InChI InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChIKey WQYWXQCOYRZFAV-UHFFFAOYSA-N
Mol Weight 196.35 g/mol
Molecular Formula C12H20S
Exact Mass 196.128572 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqMDz78DCAz
Name 3-Octylthiophene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 424285
CAS Registry Number 65016-62-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20S
InChI InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChIKey WQYWXQCOYRZFAV-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009422