| SpectraBase Spectrum ID |
DonUGkjEE4m |
| Name |
Clemastine |
| CAS Registry Number |
15686-51-8 |
| Classification |
Pharmaceutical drug, antihistaminic |
| Comments |
Spectrum verified by crosschecking against external libraries (five reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
343.170292160 u |
| Formula |
C21H26ClNO |
| InChI |
InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3 |
| InChIKey |
YNNUSGIPVFPVBX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
343.898 g/mol |
| Nominal Mass |
343 u |
| Quality |
1000 |
| Retention Index |
2415 |
| SMILES |
C(C=1C=CC(=CC1)Cl)(C=1C=CC=CC1)(OCCC1N(CCC1)C)C |
| SPLASH |
splash10-001i-9500000000-9a004ad9253159c7eb98 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Clemastin
Tavegil
2-(2-(1-(4-chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030746 |
![2-(2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl)-1-methylpyrrolidine](/api/spectrum/DonUGkjEE4m/structure.png?h=300&w=458 "2-(2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl)-1-methylpyrrolidine")
