Sulcotrione
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF401304
Dataset description:
This MassBank record with Accession MSBNK-UFZ-UF401304 contains the MS2 mass spectrum of Sulcotrione with the InChIkey PQTBTIFWAXVEPB-UHFFFAOYSA-N.
Source: Sulcotrione
Chemical Info
| InChI | InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C(=O)C2C(=O)CCCC2=O)C(Cl)=C1 |
| InChI Key | PQTBTIFWAXVEPB-UHFFFAOYSA-N |
| Molecular Formula | C14H13ClO5S |
| Exact Mass | 328.017 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 4.0 International (CC BY 4.0) |
| Id | c81e5466-61fc-40e1-9bb5-c201bd916464 |
| Package id | msbnk-ufz-uf401304 |
| Resource type | HTML |
| State | active |