| SpectraBase Spectrum ID |
GWE9YGyBoqu |
| Name |
Mesalazin ME 2AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
251.079372518 u |
| Formula |
C12H13NO5 |
| InChI |
InChI=1S/C12H13NO5/c1-7(14)13-9-4-5-11(18-8(2)15)10(6-9)12(16)17-3/h4-6H,1-3H3,(H,13,14) |
| InChIKey |
YGSQESDSVCYABW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
251.238 g/mol |
| Nominal Mass |
251 u |
| Quality |
871 |
| Retention Index |
1903 |
| SMILES |
C1(=C(C=CC(=C1)NC(=O)C)OC(=O)C)C(OC)=O |
| SPLASH |
splash10-00di-1930000000-70ba514c0eb7b55f46ef |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 5-(acetylamino)-2-(acetyloxy)benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001925 |
