| SpectraBase Spectrum ID |
DmKhZdHEXlQ |
| Name |
1-Phenylcyclopentanecarboxylic acid A (-2H) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
188.083729624 u |
| Formula |
C12H12O2 |
| InChI |
InChI=1S/C12H12O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,13,14) |
| InChIKey |
DIOHQLIUVZZGKD-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
188.226 g/mol |
| Nominal Mass |
188 u |
| Reagent Gas |
Methane |
| Retention Index |
1650 |
| SMILES |
OC(C1(C2=CC=CC=C2)C=CCC1)=O |
| SPLASH |
splash10-000l-0900000000-c9d9c2aef3b59f9071d9 |
| Sample Comments |
Double bond position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Carbetapentane-M (carboxy -H2)
Pentoxyverine-M (carboxy -H2)
1-phenylcyclopent-2-ene-1-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013507 |
