For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Benzoylthiocholine iodide

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 UV-Vis

Benzoylthiocholine iodide
SpectraBase Compound ID 9kgPbzw5vZq
InChI InChI=1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
InChIKey PCGVSJGEHWZOBK-UHFFFAOYSA-M
Mol Weight 351.24647 g/mol
Molecular Formula C12H18INOS
Exact Mass 351.01538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LDyKZuUxWDg
Name Benzoylthiocholine iodide
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 10561-14-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18INOS
InChI InChI=1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
InChIKey PCGVSJGEHWZOBK-UHFFFAOYSA-M
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms (2-Mercaptoethyl)trimethylammonium iodide, benzoate