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CHOLINE CHLORIDE, BENZOATE

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

CHOLINE CHLORIDE, BENZOATE
SpectraBase Compound ID jwYbV7Vmi5
InChI InChI=1S/C12H18NO2.ClH/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 QVFHQENRNSAHEK-UHFFFAOYSA-M
Mol Weight 243.73 g/mol
Molecular Formula C12H18ClNO2
Exact Mass 243.102607 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 37OEsdgjDBu
Name Benzoylcholine chloride
Source of Sample Aldrich
Catalog Number 216976
CAS Registry Number 2964-09-2
Classification Aromatic esters and lactones
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18ClNO2
InChI InChI=1S/C12H18NO2.ClH/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 QVFHQENRNSAHEK-UHFFFAOYSA-M
Purity 99%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (2-Hydroxyethyl)trimethylammonium chloride benzoate
Technique Mull
Wiley ID SIAL_FTIR_1_3410