| SpectraBase Spectrum ID |
5ZN5hGZmGmm |
| Name |
Bisacodyl-M/A |
| CAS Registry Number |
10040-34-3 |
| Classification |
Pharmaceutical drug hydrolysate |
| 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 |
277.110278725 u |
| Formula |
C18H15NO2 |
| InChI |
InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H |
| InChIKey |
LJROKJGQSPMTKB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.323 g/mol |
| Nominal Mass |
277 u |
| Quality |
866 |
| Retention Index |
2755 |
| SMILES |
OC1=CC=C(C(C2=CC=C(C=C2)O)C2=NC=CC=C2)C=C1 |
| SPLASH |
splash10-004i-3980000000-7db105d30418dd00d5fe |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Bisacodyl diphenol
4-Hydroxy-[(4-hydroxyphenyl)pyridin-2-yl-methyl]phenyl |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008744 |
![4,4'-[(2-pyridyl)methylene]diphenol](/api/spectrum/5ZN5hGZmGmm/structure.png?h=300&w=458 "4,4'-[(2-pyridyl)methylene]diphenol")
