| SpectraBase Spectrum ID |
2nZ8uqqmoCG |
| Name |
Mesalazin ME AC |
| Classification |
Pharmaceutical drug derivative |
| 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 |
209.068807834 u |
| Formula |
C10H11NO4 |
| InChI |
InChI=1S/C10H11NO4/c1-6(12)11-7-3-4-9(13)8(5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12) |
| InChIKey |
JOILLVHUXHWRQB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
209.201 g/mol |
| Nominal Mass |
209 u |
| Quality |
878 |
| Retention Index |
1606 |
| SMILES |
OC1=C(C=C(NC(=O)C)C=C1)C(OC)=O |
| SPLASH |
splash10-0550-3910000000-8c8a1400ba1d2474b53d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 5-(acetylamino)-2-(acetyloxy)benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001926 |
