| SpectraBase Spectrum ID |
KLgJNV8clpO |
| 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-3590000000-78d79712af804c0bf588 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
