Desacetylbisacodyl
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01151306
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01151306 contains the MS2 mass spectrum of Desacetylbisacodyl with the InChIkey LJROKJGQSPMTKB-UHFFFAOYSA-N.
Source: Desacetylbisacodyl
Chemical Info
| 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 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O |
| InChI Key | LJROKJGQSPMTKB-UHFFFAOYSA-N |
| Molecular Formula | C18H15NO2 |
| Exact Mass | 277.110 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 576277cb-35b6-4bdc-8b79-40dbbbe78e78 |
| Package id | msbnk-eawag-eq01151306 |
| Resource type | HTML |
| State | active |