| SpectraBase Spectrum ID |
J1k3qw35mQt |
| Name |
Desloratadine |
| CAS Registry Number |
100643-71-8 |
| Classification |
Pharmaceutical drug, antiallergic, antihistaminic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
310.123676320 u |
| Formula |
C19H19ClN2 |
| InChI |
InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2 |
| InChIKey |
JAUOIFJMECXRGI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.828 g/mol |
| Nominal Mass |
310 u |
| Quality |
822 |
| Retention Index |
2504 |
| SMILES |
C1(C=2C(CCC3=C1N=CC=C3)=CC(=CC2)Cl)=C1CCNCC1 |
| SPLASH |
splash10-0159-0291000000-8abe4cce045f5ec6b062 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Aerius
Clarinex
8-Chloro-11-(piperidin-4-yliden)-6,11-dihydro-5H-benzo[5,6]cyclohepta-[1,2-b]pyridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013336 |
