| SpectraBase Spectrum ID |
DljEfh0YlpQ |
| Name |
Bisacodyl-A (desacetyl) DMBS |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
433.207320394 u |
| Formula |
C26H31NO3Si |
| InChI |
InChI=1S/C26H31NO3Si/c1-19(28)29-22-14-10-20(11-15-22)25(24-9-7-8-18-27-24)21-12-16-23(17-13-21)30-31(5,6)26(2,3)4/h7-18,25H,1-6H3 |
| InChIKey |
FGHBPNLOIQHRHB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
433.623 g/mol |
| Nominal Mass |
433 u |
| Quality |
960 |
| Retention Index |
3059 |
| SMILES |
C(C1=CC=C(O[Si](C(C)(C)C)(C)C)C=C1)(C1=CC=C(C=C1)OC(=O)C)C1=NC=CC=C1 |
| SPLASH |
splash10-000x-9622200000-76235e6cc1ee2d7a6c47 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-((4-((tert-butyl(dimethyl)silyl)oxy)phenyl)(pyridin-2-yl)methyl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010414 |
