| SpectraBase Compound ID | DSle9dDNFOp |
|---|---|
| InChI | InChI=1S/C12H5BrF5NO2/c13-7-2-3-8-6(5-7)1-4-9(19-8)21-10(20)11(14,15)12(16,17)18/h1-5H |
| InChIKey | QAWJUSCNHJZKED-UHFFFAOYSA-N |
| Mol Weight | 370.07 g/mol |
| Molecular Formula | C12H5BrF5NO2 |
| Exact Mass | 368.942382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEq2rCgFnKV |
|---|---|
| Name | 6-Bromo-2-hydroxyquinoline, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.942382218 u |
| Formula | C12H5BrF5NO2 |
| InChI | InChI=1S/C12H5BrF5NO2/c13-7-2-3-8-6(5-7)1-4-9(19-8)21-10(20)11(14,15)12(16,17)18/h1-5H |
| InChIKey | QAWJUSCNHJZKED-UHFFFAOYSA-N |
| Molecular Weight | 370.073 g/mol |
| SMILES | C1(Br)=CC2=C(C=C1)N=C(C=C2)OC(C(C(F)(F)F)(F)F)=O |