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Methantheline bromide

View entire compound with spectra: 2 NMR, 2 FTIR, and 4 MS (GC)

Methantheline bromide
SpectraBase Compound ID KoM4wBRPlo1
InChI InChI=1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
InChIKey PQMWYJDJHJQZDE-UHFFFAOYSA-M
Mol Weight 420.35 g/mol
Molecular Formula C21H26BrNO3
Exact Mass 419.109607 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6kBF1Co1uWh
Name DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM BROMIDE, XANTHENE-9-CARBOXYLATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26BrNO3
InChI InChI=1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
InChIKey PQMWYJDJHJQZDE-UHFFFAOYSA-M
Molecular Weight 420.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms AMMONIUM BROMIDE, DIETHYL/2-HYDROXYETHYL/METHYL-, XANTHENE-9- CARBOXYLATE