| SpectraBase Compound ID | 6Phuq4YuJo5 |
|---|---|
| InChI | InChI=1S/C13H12F4O4/c1-20-10-6-8(2-4-9(10)18)3-5-11(19)21-7-13(16,17)12(14)15/h2-6,12,18H,7H2,1H3/b5-3+ |
| InChIKey | BATVPCHYXYOJEA-HWKANZROSA-N |
| Mol Weight | 308.23 g/mol |
| Molecular Formula | C13H12F4O4 |
| Exact Mass | 308.067172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YGlOuEEBlJ |
|---|---|
| Name | Trans-ferulic acid, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.067171514 u |
| Formula | C13H12F4O4 |
| InChI | InChI=1S/C13H12F4O4/c1-20-10-6-8(2-4-9(10)18)3-5-11(19)21-7-13(16,17)12(14)15/h2-6,12,18H,7H2,1H3/b5-3+ |
| InChIKey | BATVPCHYXYOJEA-HWKANZROSA-N |
| Molecular Weight | 308.229 g/mol |
| SMILES | C1=C(C(=CC=C1\C=C\C(OCC(C(F)F)(F)F)=O)O)OC |