| SpectraBase Spectrum ID |
J5n6NqbNX0H |
| Name |
Diclofenac-M (2OH,-H2O) 2AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
393.017077918 u |
| Formula |
C18H13Cl2NO5 |
| InChI |
InChI=1S/C18H13Cl2NO5/c1-9(22)25-14-8-4-7-13-15(14)17(26-10(2)23)18(24)21(13)16-11(19)5-3-6-12(16)20/h3-8,17H,1-2H3 |
| InChIKey |
CROUOVOPFAHTKQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
394.210 g/mol |
| Nominal Mass |
393 u |
| Quality |
908 |
| Retention Index |
2876 |
| SMILES |
C1=2N(C(C(C2C(=CC=C1)OC(=O)C)OC(=O)C)=O)C=1C(=CC=CC1Cl)Cl |
| SPLASH |
splash10-0zg0-1598000000-8eca05ba7ce49ea764a3 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(acetyloxy)-1-(2,6-dichlorophenyl)-2-oxo-2,3-dihydro-1H-indol-4-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000903 |
