SpectraBase Spectrum ID |
5WWdZo9FX1c |
Name |
Baclofen |
CAS Registry Number |
1134-47-0 |
Classification |
Pharmaceutical drug, muscle relaxant |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
213.055656328 u |
Formula |
C10H12ClNO2 |
InChI |
InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14) |
InChIKey |
KPYSYYIEGFHWSV-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
213.664 g/mol |
Nominal Mass |
213 u |
Quality |
784 |
Retention Index |
2093 |
SMILES |
OC(CC(CN)C1=CC=C(C=C1)Cl)=O |
SPLASH |
splash10-0ug0-4900000000-beea897e0ac6169ae730 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(R,S)-4-Amino-3-(4-chlorophenyl)butanoic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_000192 |