| SpectraBase Spectrum ID |
8GJg6KJS7u4 |
| Name |
Diclofenac-M (-H2O) AC I |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
335.011598615 u |
| Formula |
C16H11Cl2NO3 |
| InChI |
InChI=1S/C16H11Cl2NO3/c1-9(20)22-14-7-3-6-13-10(14)8-15(21)19(13)16-11(17)4-2-5-12(16)18/h2-7H,8H2,1H3 |
| InChIKey |
MJEWYKKBOMODJE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
336.174 g/mol |
| Nominal Mass |
335 u |
| Quality |
917 |
| Retention Index |
2470 |
| SMILES |
C1=2N(C(CC2C(=CC=C1)OC(=O)C)=O)C1=C(C=CC=C1Cl)Cl |
| SPLASH |
splash10-000y-2390000000-6646c134a638229cf6df |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(2,6-dichlorophenyl)-2-oxo-2,3-dihydro-1H-indol-4-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005561 |
