![6-(5-Bromo-2-hydroxy-benzylidene)-2-trifluoromethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione](/api/spectrum/9BePEnaLN9p/structure.png?h=300&w=458 "6-(5-Bromo-2-hydroxy-benzylidene)-2-trifluoromethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione")
| SpectraBase Compound ID | BMWOP53kDNu |
|---|---|
| InChI | InChI=1S/C13H5BrF3N3O3S/c14-6-1-2-8(21)5(3-6)4-7-9(22)18-12-20(10(7)23)19-11(24-12)13(15,16)17/h1-4,21H/b7-4+ |
| InChIKey | MXNMIEPCYJJMRE-QPJJXVBHSA-N |
| Mol Weight | 420.16 g/mol |
| Molecular Formula | C13H5BrF3N3O3S |
| Exact Mass | 418.91871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9BePEnaLN9p |
|---|---|
| Name | 6-(5-Bromo-2-hydroxy-benzylidene)-2-trifluoromethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione |
| Alternate Name(s) | (6E)-6-(5-bromo-2-hydroxy-benzylidene)-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-quinone (6E)-6-(5-Bromo-2-hydroxybenzylidene)-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7(6H)-dione (6E)-6-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione (6E)-6-[(5-bromo-2-hydroxy-phenyl)methylene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione (6E)-6-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H5BrF3N3O3S |
| InChI | InChI=1S/C13H5BrF3N3O3S/c14-6-1-2-8(21)5(3-6)4-7-9(22)18-12-20(10(7)23)19-11(24-12)13(15,16)17/h1-4,21H/b7-4+ |
| InChIKey | MXNMIEPCYJJMRE-QPJJXVBHSA-N |
| Molecular Weight | 420.160 g/mol |
| SMILES | Oc1c(\C=C\2C(N3C(=NC2=O)SC(=N3)C(F)(F)F)=O)cc(cc1)Br |
| SPLASH | splash10-0udi-2690000000-fd0fb5e1a66c8da3796a |
| Wiley ID | 1462393 |