| SpectraBase Spectrum ID |
8GilsqJWIvw |
| Name |
Ebastine |
| CAS Registry Number |
90729-43-4 |
| Classification |
Pharmaceutical drug, anti-allergic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
469.298079498 u |
| Formula |
C32H39NO2 |
| InChI |
InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3 |
| InChIKey |
MJJALKDDGIKVBE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
469.669 g/mol |
| Nominal Mass |
469 u |
| Quality |
987 |
| Retention Index |
3595 |
| SMILES |
C(C1=CC=CC=C1)(C=1C=CC=CC1)OC1CCN(CC1)CCCC(C1=CC=C(C(C)(C)C)C=C1)=O |
| SPLASH |
splash10-02t9-1910000000-2d3cbdafd2654f7495a6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(4-Benzhydryloxy-1-piperidyl)-1-(4-tert-butylphenyl)butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018214 |
