SpectraBase Spectrum ID |
2mxb1BvHDE0 |
Name |
Baclofen ME AC |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
269.081871076 u |
Formula |
C13H16ClNO3 |
InChI |
InChI=1S/C13H16ClNO3/c1-9(16)15-8-11(7-13(17)18-2)10-3-5-12(14)6-4-10/h3-6,11H,7-8H2,1-2H3,(H,15,16) |
InChIKey |
MDYUOTMWTYFSCJ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
269.728 g/mol |
Nominal Mass |
269 u |
Quality |
893 |
Retention Index |
1988 |
SMILES |
C1(C(CNC(=O)C)CC(OC)=O)=CC=C(C=C1)Cl |
SPLASH |
splash10-03k9-3940000000-d7c42203ebbd8a997c72 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
methyl 4-(acetylamino)-3-(4-chlorophenyl)butanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_000199 |