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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7H3m773XeS
Name 1-isobenzofuranpropanaminium, 5-cyano-1-(4-fluorophenyl)-1,3-dihydro-N,N-dimethyl-, bromide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6362
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F28398; Labnumber: Bio_BB-0030