| SpectraBase Compound ID | ELJs2QELyas |
|---|---|
| InChI | InChI=1S/2C13H12F3NO5/c2*1-7-3-5-8(6-4-7)17-10(18)9(11(19)21-2)12(20)22-13(14,15)16/h3-6,17-18H,1-2H3;3-6,9H,1-2H3,(H,17,18)/b10-9-; |
| InChIKey | KTNPZOLBCPRPEE-KVVVOXFISA-N |
| Mol Weight | 319.24 g/mol |
| Molecular Formula | C13H12F3NO5 |
| Exact Mass | 319.066757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bef4x4A9YCB |
|---|---|
| Name | Mixture |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.066756974 u |
| Formula | C13H12F3NO5 |
| InChI | InChI=1S/2C13H12F3NO5/c2*1-7-3-5-8(6-4-7)17-10(18)9(11(19)21-2)12(20)22-13(14,15)16/h3-6,17-18H,1-2H3;3-6,9H,1-2H3,(H,17,18)/b10-9-; |
| InChIKey | KTNPZOLBCPRPEE-KVVVOXFISA-N |
| Molecular Weight | 319.236 g/mol |
| SMILES | C1(N\C(O)=C/(C(=O)OC)C(=O)OC(F)(F)F)=CC=C(C=C1)C.C1(NC(=O)C(C(=O)OC)C(=O)OC(F)(F)F)=CC=C(C=C1)C |