| SpectraBase Spectrum ID |
BDhuxYr0nc0 |
| Name |
Ebastine |
| CAS Registry Number |
90729-43-4 |
| Classification |
Antihistamine |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
c1(ccccc1)C(OC1CCN(CC1)CCCC(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1 |
| SPLASH |
splash10-02t9-1900000000-b7c04963e5c28f08e28b |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8158 |
