Difethialone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01094102
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01094102 contains the MS2 mass spectrum of Difethialone with the InChIkey VSVAQRUUFVBBFS-UHFFFAOYSA-N.
Source: Difethialone
Chemical Info
| InChI | InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2 |
|---|---|
| SMILES | C1C(CC2=CC=CC=C2C1C3=C(SC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br |
| InChI Key | VSVAQRUUFVBBFS-UHFFFAOYSA-N |
| Molecular Formula | C31H23BrO2S |
| Exact Mass | 538.060 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 | 5aa06cbf-f6c3-453b-af5f-46e2a3b19c3e |
| Package id | msbnk-eawag-eq01094102 |
| Resource type | HTML |
| State | active |