SpectraBase Spectrum ID |
JGGuaRmGM6K |
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 |
Electron Ionization (EI) |
Molecular Weight |
331.456 g/mol |
Nominal Mass |
331 u |
Quality |
995 |
Retention Index |
2252 |
SMILES |
C1(C2=CC=CC=C2)(C(OCCOCCN(CC)CC)=O)C=CCC1 |
SPLASH |
splash10-000i-9300000000-3a6215f0129ea9c977e5 |
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_013491 |