| SpectraBase Spectrum ID |
JEdX0nqsbpY |
| Name |
Pentoxyverine |
| CAS Registry Number |
77-23-6 |
| Classification |
Pharmaceutical drug, cough suppressant |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
333.230393859 u |
| Formula |
C20H31NO3 |
| InChI |
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 |
| InChIKey |
CFJMRBQWBDQYMK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
333.472 g/mol |
| Nominal Mass |
333 u |
| Quality |
991 |
| Retention Index |
2273 |
| SMILES |
C1(C2=CC=CC=C2)(C(OCCOCCN(CC)CC)=O)CCCC1 |
| SPLASH |
splash10-000i-9200000000-6aeaae162f55160a5cc6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Carbetapentane
Pentoxiverin
2-(2-Diethylaminoethoxy)ethyl-1-phenylcyclopentane-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013492 |
