| SpectraBase Spectrum ID |
8Ig1JQT450y |
| Name |
Pentoxyverine-M (OH) AC III |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
391.235873162 u |
| Formula |
C22H33NO5 |
| InChI |
InChI=1S/C22H33NO5/c1-4-23(5-2)14-15-26-16-17-27-21(25)22(19-10-7-6-8-11-19)13-9-12-20(22)28-18(3)24/h6-8,10-11,20H,4-5,9,12-17H2,1-3H3 |
| InChIKey |
SSQLLVHWVHEAJQ-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
391.508 g/mol |
| Nominal Mass |
391 u |
| Reagent Gas |
Methane |
| Retention Index |
2552 |
| SMILES |
C1(C(CCC1)OC(=O)C)(C=1C=CC=CC1)C(OCCOCCN(CC)CC)=O |
| SPLASH |
splash10-0006-0209000000-2eb0039692f0a7bd4a5e |
| Sample Comments |
Acetoxy position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Carbetapentane-M (OH) AC III
2-(2-(diethylamino)ethoxy)ethyl 2-(acetyloxy)-1-phenylcyclopentane-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013525 |
