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Thiobenzoic acid, S-octyl ester

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

Thiobenzoic acid, S-octyl ester
SpectraBase Compound ID KnaTI4HwV4Z
InChI InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey RBWOKKSOBWYZQH-UHFFFAOYSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GyT3JhGCwIF
Name Thiobenzoic acid, S-octyl ester
Source of Sample J. J. Talley, General Electric Company, Schenectady, New York
Boiling Point 125-130C/0.01mm
CAS Registry Number 10489-23-3
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey RBWOKKSOBWYZQH-UHFFFAOYSA-N
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20