| SpectraBase Compound ID | 5dFiRRoGw2I |
|---|---|
| InChI | InChI=1S/C12H5F5N2O4/c13-11(14,12(15,16)17)10(20)23-8-4-3-7(19(21)22)6-2-1-5-18-9(6)8/h1-5H |
| InChIKey | CDHOWJGMWUSHLC-UHFFFAOYSA-N |
| Mol Weight | 336.17 g/mol |
| Molecular Formula | C12H5F5N2O4 |
| Exact Mass | 336.016947 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 | HZJtdLU9BDa |
|---|---|
| Name | 5-Nitro-8-quinolinol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.016947460 u |
| Formula | C12H5F5N2O4 |
| InChI | InChI=1S/C12H5F5N2O4/c13-11(14,12(15,16)17)10(20)23-8-4-3-7(19(21)22)6-2-1-5-18-9(6)8/h1-5H |
| InChIKey | CDHOWJGMWUSHLC-UHFFFAOYSA-N |
| Molecular Weight | 336.174 g/mol |
| SMILES | C1(N(=O)=O)=C2C(N=CC=C2)=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |