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choline bromide, 2-[(1-chloro-2-naphthyl)oxy]-2-methylpropionate

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

choline bromide, 2-[(1-chloro-2-naphthyl)oxy]-2-methylpropionate
SpectraBase Compound ID 9RjTyKqtl79
InChI InChI=1S/C19H25ClNO3.BrH/c1-19(2,18(22)23-13-12-21(3,4)5)24-16-11-10-14-8-6-7-9-15(14)17(16)20;/h6-11H,12-13H2,1-5H3;1H/q+1;/p-1
InChIKey RPCLCVPVIFKEPO-UHFFFAOYSA-M
Mol Weight 430.77 g/mol
Molecular Formula C19H25BrClNO3
Exact Mass 429.070634 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IGAuylWwIPd
Name CHOLINE BROMIDE, 2-[(1-CHLORO-2-NAPHTHYL)OXY]-2-METHYLPROPIONATE
Source of Sample V. Pestellini, A. Menarini Pharmaceuticals, Florence, Italy
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25BrClNO3
InChI InChI=1S/C19H25ClNO3.BrH/c1-19(2,18(22)23-13-12-21(3,4)5)24-16-11-10-14-8-6-7-9-15(14)17(16)20;/h6-11H,12-13H2,1-5H3;1H/q+1;/p-1
InChIKey RPCLCVPVIFKEPO-UHFFFAOYSA-M
Melting Point 153-156C
Molecular Weight 430.78
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CHOLINE BROMIDE, 2-//1-CHLORO- 2-NAPHTHYL/OXY/-2-METHYLPROPIONATE AMMONIUM BROMIDE, /2-HYDROXYETHYL/TRIMETHYL-, 2-//1-CHLORO-2-NAPHTHYL/OXY/-2-METHYLPROPIONATE