| SpectraBase Compound ID | 3h1yRffL9v6 |
|---|---|
| InChI | InChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H |
| InChIKey | ASOVDRYKVVVCIA-UHFFFAOYSA-N |
| Mol Weight | 206.19 g/mol |
| Molecular Formula | C12H8F2O |
| Exact Mass | 206.054321 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 | 86WWS8X3AVx |
|---|---|
| Name | Diflunisal - gc artefact I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.054321203 u |
| Formula | C12H8F2O |
| InChI | InChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H |
| InChIKey | ASOVDRYKVVVCIA-UHFFFAOYSA-N |
| Molecular Weight | 206.192 g/mol |
| SMILES | C=1(C(=CC=C(C1)F)C1=CC=C(C=C1)O)F |