Benorylate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001800
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001800 contains the MS mass spectrum of Benorylate with the InChIkey FEJKLNWAOXSSNR-UHFFFAOYSA-N.
Source: Benorylate
Chemical Info
| InChI | InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19) |
|---|---|
| SMILES | CC(=O)Nc(c2)ccc(c2)OC(=O)c(c1)c(ccc1)OC(C)=O |
| InChI Key | FEJKLNWAOXSSNR-UHFFFAOYSA-N |
| Molecular Formula | C17H15NO5 |
| Exact Mass | 313.095 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 1be3228b-45fe-4d78-ae09-35306d4c9521 |
| Package id | msbnk-waters-wa001800 |
| Resource type | HTML |
| State | active |