| SpectraBase Compound ID | 8S8S2al1Ui2 |
|---|---|
| InChI | InChI=1S/C13H6F6O5/c14-12(15,16)10(21)23-8-4-1-7(2-5-8)3-6-9(20)24-11(22)13(17,18)19/h1-6H/b6-3+ |
| InChIKey | NSTRAAJPDIORBV-ZZXKWVIFSA-N |
| Mol Weight | 356.18 g/mol |
| Molecular Formula | C13H6F6O5 |
| Exact Mass | 356.011942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ffb3JcrWiJ |
|---|---|
| Name | p-Coumaric acid, trifluoroacetate, trifluoroacetic acid anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.011942266 u |
| Formula | C13H6F6O5 |
| InChI | InChI=1S/C13H6F6O5/c14-12(15,16)10(21)23-8-4-1-7(2-5-8)3-6-9(20)24-11(22)13(17,18)19/h1-6H/b6-3+ |
| InChIKey | NSTRAAJPDIORBV-ZZXKWVIFSA-N |
| Molecular Weight | 356.176 g/mol |
| SMILES | C1=CC(=CC=C1\C=C\C(=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |