| SpectraBase Compound ID | 5qtBEaDYRQZ |
|---|---|
| InChI | InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H |
| InChIKey | HHMCAJWVGYGUEF-UHFFFAOYSA-N |
| Mol Weight | 328.2 g/mol |
| Molecular Formula | C13H7F3N2O5 |
| Exact Mass | 328.030706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6DNXHbPSQD |
|---|---|
| Name | Fluorodifen |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.030705817 u |
| Formula | C13H7F3N2O5 |
| InChI | InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H |
| InChIKey | HHMCAJWVGYGUEF-UHFFFAOYSA-N |
| Molecular Weight | 328.203 g/mol |
| SMILES | C1(OC2=CC=C(C=C2)N(=O)=O)=C(N(=O)=O)C=C(C=C1)C(F)(F)F |