Bromadiolone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001331
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001331 contains the MS mass spectrum of Bromadiolone with the InChIkey OWNRRUFOJXFKCU-UHFFFAOYSA-N.
Source: Bromadiolone
Chemical Info
| InChI | InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2 |
|---|---|
| SMILES | C(C=1C(c(c5)cccc5)CC(O)c(c4)ccc(c4)c(c3)ccc(Br)c3)(=O)Oc(c2)c(ccc2)C1O |
| InChI Key | OWNRRUFOJXFKCU-UHFFFAOYSA-N |
| Molecular Formula | C30H23BrO4 |
| Exact Mass | 526.078 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 | 6bf86924-05a5-460e-9dd0-e48b90205df6 |
| Package id | msbnk-waters-wa001331 |
| Resource type | HTML |
| State | active |