| SpectraBase Spectrum ID |
2o79n8WbmuO |
| Name |
Hydroxy-1-phenylcyclopentanecarboxylicacid AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-10(15)18-12-7-8-14(9-12,13(16)17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,16,17) |
| InChIKey |
KIEYMEDBBACIAE-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
248.278 g/mol |
| Nominal Mass |
248 u |
| Reagent Gas |
Methane |
| Retention Index |
1731 |
| SMILES |
OC(C1(C2=CC=CC=C2)CC(CC1)OC(=O)C)=O |
| SPLASH |
splash10-000i-0930000000-cd9060e2e5c9406c45b1 |
| Sample Comments |
Hydroxyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Carbetapentane-M (carboxy hydroxy) AC
entoxyverine-M (carboxy hydroxy) AC
3-(acetyloxy)-1-phenylcyclopentane-1-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013509 |
