| SpectraBase Spectrum ID |
FJhWaxiWyiY |
| Name |
Bisacodyl-M (OH) ME |
| Classification |
Pharmaceutical drug, laxative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
391.141972775 u |
| Formula |
C23H21NO5 |
| InChI |
InChI=1S/C23H21NO5/c1-15(25)28-19-10-7-17(8-11-19)23(20-6-4-5-13-24-20)18-9-12-21(29-16(2)26)22(14-18)27-3/h4-14,23H,1-3H3 |
| InChIKey |
OJAIKLOVZTWZML-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
391.423 g/mol |
| Nominal Mass |
391 u |
| Quality |
935 |
| Retention Index |
2979 |
| SMILES |
C(C=1C=C(C(=CC1)OC(=O)C)OC)(C1=CC=C(C=C1)OC(=O)C)C1=NC=CC=C1 |
| SPLASH |
splash10-052b-0239000000-5c5c303fb165782903de |
| Sample Comments |
Methoxy position uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-((4-(acetyloxy)-3-methoxyphenyl)(pyridin-2-yl)methyl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006206 |
