| SpectraBase Spectrum ID |
JIzQsySBZ8S |
| Name |
Pentoxyverine-M/A (- 2H) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
331.214743795 u |
| Formula |
C20H29NO3 |
| InChI |
InChI=1S/C20H29NO3/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/h5-8,10-12H,3-4,9,13-17H2,1-2H3 |
| InChIKey |
UHRKEFZOUOEDKA-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
331.456 g/mol |
| Nominal Mass |
331 u |
| Reagent Gas |
Methane |
| Retention Index |
2252 |
| SMILES |
C1(C2=CC=CC=C2)(C(OCCOCCN(CC)CC)=O)C=CCC1 |
| SPLASH |
splash10-053r-5729000000-d47d28089ad3f337908d |
| Sample Comments |
Double bond position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Carbetapentane-M/A (- 2H)
2-(2-(diethylamino)ethoxy)ethyl 1-phenylcyclopent-2-ene-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013516 |
