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choline bromide, benzoate (ester)

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

choline bromide, benzoate (ester)
SpectraBase Compound ID DatQivGBFOu
InChI InChI=1S/C12H18NO2.BrH/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 UOWKZCQHFFILJX-UHFFFAOYSA-M
Mol Weight 288.185 g/mol
Molecular Formula C12H18BrNO2
Exact Mass 287.052092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeXujqVsGu
Name CHOLINE BROMIDE, BENZOATE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 24943-60-0
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18BrNO2
InChI InChI=1S/C12H18NO2.BrH/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 UOWKZCQHFFILJX-UHFFFAOYSA-M
Molecular Weight 288.19
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms CHOLINE BROMIDE, BENZOATE (ESTER) AMMONIUM BROMIDE, /2-HYDROXYETHYL/TRIMETHYL-, BENZOATE (ESTER)