Bisacodyl
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01058504
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01058504 contains the MS2 mass spectrum of Bisacodyl with the InChIkey KHOITXIGCFIULA-UHFFFAOYSA-N.
Source: Bisacodyl
Chemical Info
| InChI | InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3 |
| InChI Key | KHOITXIGCFIULA-UHFFFAOYSA-N |
| Molecular Formula | C22H19NO4 |
| Exact Mass | 361.131 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 | 315ca208-ddf4-4e18-b2c6-4d6cb5345342 |
| Package id | msbnk-eawag-eq01058504 |
| Resource type | HTML |
| State | active |