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Citalopram HBr

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

Citalopram HBr
SpectraBase Compound ID 4OGoMbdYSRa
InChI InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H
InChIKey WIHMBLDNRMIGDW-UHFFFAOYSA-N
Mol Weight 405.31 g/mol
Molecular Formula C20H22BrFN2O
Exact Mass 404.089954 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AnW7ecAHqv1
Name Citalopram HBr
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01678
Lot Number 530
CAS Registry Number 59729-32-7
Classification Antidepressant
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22BrFN2O
InChI InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H
InChIKey WIHMBLDNRMIGDW-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW0039
Source of Spectrum Forensic Spectral Research
Synonyms Celexa; 1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide
Technique FT-Raman