Flocoumafen
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01094351
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01094351 contains the MS2 mass spectrum of Flocoumafen with the InChIkey KKBGNYHHEIAGOH-UHFFFAOYSA-N.
Source: Flocoumafen
Chemical Info
| InChI | InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2 |
|---|---|
| SMILES | C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C(F)(F)F |
| InChI Key | KKBGNYHHEIAGOH-UHFFFAOYSA-N |
| Molecular Formula | C33H25F3O4 |
| Exact Mass | 542.170 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | af19eb12-8c4b-4bb2-9ccb-0f1efbd2193e |
| Package id | msbnk-eawag-eq01094351 |
| Resource type | HTML |
| State | active |