| SpectraBase Spectrum ID |
2mVjW2Wyc4G |
| Name |
Diclofenac-M (OH) 2TMS III |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
455.090652200 u |
| Formula |
C20H27Cl2NO3Si2 |
| InChI |
InChI=1S/C20H27Cl2NO3Si2/c1-27(2,3)25-15-11-10-14(12-19(24)26-28(4,5)6)18(13-15)23-20-16(21)8-7-9-17(20)22/h7-11,13,23H,12H2,1-6H3 |
| InChIKey |
ONCWLBRUJPFXHE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
456.516 g/mol |
| Nominal Mass |
455 u |
| Quality |
972 |
| Retention Index |
2551 |
| SMILES |
C1(NC=2C(=CC=CC2Cl)Cl)=C(C=CC(=C1)O[Si](C)(C)C)CC(O[Si](C)(C)C)=O |
| SPLASH |
splash10-00di-9115100000-e3946392006e3daa3c94 |
| Sample Comments |
Hydroxyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl (2-((2,6-dichlorophenyl)amino)-4-((trimethylsilyl)oxy)phenyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000902 |
