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Cetirizine methanol adduct
SpectraBase Compound ID 6xkgQwjwzS
InChI InChI=1S/C22H27ClN2O3/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,22H,11-17H2,1H3
InChIKey BYCHNMFDSQCCDD-UHFFFAOYSA-N
Mol Weight 402.92 g/mol
Molecular Formula C22H27ClN2O3
Exact Mass 402.17102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VmssA3tJGf
Name Cetirizine methanol adduct
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C22H27ClN2O3
InChI InChI=1S/C22H27ClN2O3/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,22H,11-17H2,1H3
InChIKey BYCHNMFDSQCCDD-UHFFFAOYSA-N
SMILES c1cc(ccc1Cl)C(N1CCN(CC1)CCOCC(OC)=O)c1ccccc1
SPLASH splash10-0udi-5690000000-724ed2bc7bf9c37d8288
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences