| SpectraBase Compound ID | E0F6G5gaWay |
|---|---|
| InChI | InChI=1S/C11H7F3O4/c12-11(13,14)10(17)18-8-4-1-7(2-5-8)3-6-9(15)16/h1-6H,(H,15,16)/b6-3+ |
| InChIKey | BNJZTXDBRDLLLG-ZZXKWVIFSA-N |
| Mol Weight | 260.17 g/mol |
| Molecular Formula | C11H7F3O4 |
| Exact Mass | 260.029643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRZemIMDaMp |
|---|---|
| Name | p-Coumaric acid tfa P655 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.029643190 u |
| Formula | C11H7F3O4 |
| InChI | InChI=1S/C11H7F3O4/c12-11(13,14)10(17)18-8-4-1-7(2-5-8)3-6-9(15)16/h1-6H,(H,15,16)/b6-3+ |
| InChIKey | BNJZTXDBRDLLLG-ZZXKWVIFSA-N |
| Molecular Weight | 260.168 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C(F)(F)F)=O)\C=C\C(O)=O |