| SpectraBase Compound ID | 4ifbEUcLBto |
|---|---|
| InChI | InChI=1S/C11H5F3N2O4/c12-11(13,14)10(17)20-8-4-3-7(16(18)19)6-2-1-5-15-9(6)8/h1-5H |
| InChIKey | VBKFKHHANQNVFI-UHFFFAOYSA-N |
| Mol Weight | 286.17 g/mol |
| Molecular Formula | C11H5F3N2O4 |
| Exact Mass | 286.020141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9jkgvZMXXNo |
|---|---|
| Name | 5-Nitro-8-quinolinol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.020141134 u |
| Formula | C11H5F3N2O4 |
| InChI | InChI=1S/C11H5F3N2O4/c12-11(13,14)10(17)20-8-4-3-7(16(18)19)6-2-1-5-15-9(6)8/h1-5H |
| InChIKey | VBKFKHHANQNVFI-UHFFFAOYSA-N |
| Molecular Weight | 286.166 g/mol |
| SMILES | C1(N(=O)=O)=C2C(N=CC=C2)=C(C=C1)OC(C(F)(F)F)=O |