| SpectraBase Spectrum ID |
DkIDMJa7KfQ |
| Name |
Pentoxyverine-M (Desalkyl,OH) 2AC I |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
405.215137716 u |
| Formula |
C22H31NO6 |
| InChI |
InChI=1S/C22H31NO6/c1-4-23(17(2)24)12-13-27-14-15-28-21(26)22(19-8-6-5-7-9-19)11-10-20(16-22)29-18(3)25/h5-9,20H,4,10-16H2,1-3H3 |
| InChIKey |
YYGGNTABWZWZQF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
405.491 g/mol |
| Nominal Mass |
405 u |
| Quality |
994 |
| Retention Index |
2755 |
| SMILES |
C1(C2=CC=CC=C2)(C(OCCOCCN(C(=O)C)CC)=O)CC(CC1)OC(=O)C |
| SPLASH |
splash10-0r00-5900000000-9cfb7717a46164f6d5ce |
| Sample Comments |
Acetoxy position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Carbetapentane-M (Desalkyl,OH) 2AC I
2-(2-(acetyl(ethyl)amino)ethoxy)ethyl 3-(acetyloxy)-1-phenylcyclopentane-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013501 |
