| SpectraBase Compound ID | 3dPaK4NQUEZ |
|---|---|
| InChI | InChI=1S/2C13H12F3NO6/c2*1-21-8-5-3-7(4-6-8)17-10(18)9(11(19)22-2)12(20)23-13(14,15)16/h3-6,17-18H,1-2H3;3-6,9H,1-2H3,(H,17,18)/b10-9-; |
| InChIKey | HLNLEQSVKBBZID-KVVVOXFISA-N |
| Mol Weight | 335.24 g/mol |
| Molecular Formula | C13H12F3NO6 |
| Exact Mass | 335.061672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpG1ZelvuR9 |
|---|---|
| Name | Mixture |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.061671593 u |
| Formula | C13H12F3NO6 |
| InChI | InChI=1S/2C13H12F3NO6/c2*1-21-8-5-3-7(4-6-8)17-10(18)9(11(19)22-2)12(20)23-13(14,15)16/h3-6,17-18H,1-2H3;3-6,9H,1-2H3,(H,17,18)/b10-9-; |
| InChIKey | HLNLEQSVKBBZID-KVVVOXFISA-N |
| Molecular Weight | 335.235 g/mol |
| SMILES | C1(OC)=CC=C(N\C(O)=C/(C(=O)OC)C(=O)OC(F)(F)F)C=C1.C1(OC)=CC=C(NC(=O)C(C(=O)OC)C(=O)OC(F)(F)F)C=C1 |