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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HXq01ZvcTJU
Name Benzoylthiocholine iodide
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 10561-14-5
Copyright Copyright © 1991-2024 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
Instrument Name BRUKER AC-300
Solvent DMSO-d6; Reference=TMS; Temperature 297K
Synonyms (2-Mercaptoethyl)trimethylammonium iodide, benzoate