| SpectraBase Spectrum ID |
JFrmqwjo3jE |
| Name |
Baclofen-M/A (OH,-H2O) |
| Classification |
Pharmaceutical drug metabolite, artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
196.029107228 u |
| Formula |
C10H9ClO2 |
| InChI |
InChI=1S/C10H9ClO2/c11-9-3-1-7(2-4-9)8-5-10(12)13-6-8/h1-4,8H,5-6H2 |
| InChIKey |
FJIIHITUMSUKIQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.633 g/mol |
| Nominal Mass |
196 u |
| Quality |
870 |
| Retention Index |
1410 |
| SMILES |
C1(C2CC(OC2)=O)=CC=C(C=C1)Cl |
| SPLASH |
splash10-000i-2900000000-e85507710f20a4d77038 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(4-chlorophenyl)oxolan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000196 |
