| SpectraBase Spectrum ID |
p0PAVCg15p |
| Name |
Bisacodyl-M (Desacetyl) |
| Classification |
Pharmaceutical drug, laxative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
319.120843408 u |
| Formula |
C20H17NO3 |
| InChI |
InChI=1S/C20H17NO3/c1-14(22)24-18-11-7-16(8-12-18)20(19-4-2-3-13-21-19)15-5-9-17(23)10-6-15/h2-13,20,23H,1H3 |
| InChIKey |
IGNJZSFTZVUILA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
319.360 g/mol |
| Nominal Mass |
319 u |
| Quality |
967 |
| Retention Index |
2821 |
| SMILES |
OC1=CC=C(C(C2=CC=C(C=C2)OC(=O)C)C2=NC=CC=C2)C=C1 |
| SPLASH |
splash10-00or-2496000000-4d90fedc30268f057301 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-((4-hydroxyphenyl)(pyridin-2-yl)methyl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006204 |
![4,4'-[(2-pyridyl)methylene]diphenol, monoacetate (ester)](/api/spectrum/p0PAVCg15p/structure.png?h=300&w=458 "4,4'-[(2-pyridyl)methylene]diphenol, monoacetate (ester)")
