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(R)-Cetirizine dihydrochloride
SpectraBase Compound ID BHNnNaxJxgq
InChI InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1
InChIKey PGLIUCLTXOYQMV-GHVWMZMZSA-N
Mol Weight 461.82 g/mol
Molecular Formula C21H27Cl3N2O3
Exact Mass 460.108726 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FcvPJXdbsB2
Name (R)-Cetirizine dihydrochloride
Source of Sample Cayman Chemical Company
Catalog Number 23992
Lot Number 0519010-1
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 130018-87-0
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27Cl3N2O3
IUPAC Name 2-[2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid, dihydrochloride
InChI InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1
InChIKey PGLIUCLTXOYQMV-GHVWMZMZSA-N
Instrument Name Bio-Rad FTS
SMILES OC(COCCN1CCN([C@@](c2ccc(cc2)Cl)(c2ccccc2)[H])CC1)=O.Cl.Cl
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms Levocetirizine
Technique ATR-Neat