| SpectraBase Spectrum ID |
44cgwMZ21yq |
| Name |
Diclofenac-M (OH) 2TMS I |
| 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)25-18-12-8-11-17(14(18)13-19(24)26-28(4,5)6)23-20-15(21)9-7-10-16(20)22/h7-12,23H,13H2,1-6H3 |
| InChIKey |
AXJDKPHETAKUDH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
456.516 g/mol |
| Nominal Mass |
455 u |
| Quality |
957 |
| Retention Index |
2524 |
| SMILES |
C1(=C(NC=2C(=CC=CC2Cl)Cl)C=CC=C1O[Si](C)(C)C)CC(O[Si](C)(C)C)=O |
| SPLASH |
splash10-00di-9113100000-b8dcdcbd1eba713ddadc |
| Sample Comments |
Hydroxyl position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl (2-((2,6-dichlorophenyl)amino)-6-((trimethylsilyl)oxy)phenyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000900 |
