| SpectraBase Compound ID | 8PPfFmCBFOH |
|---|---|
| InChI | InChI=1S/C10H6F4O3/c1-17-10-8(13)6(11)4(2-3-5(15)16)7(12)9(10)14/h2-3H,1H3,(H,15,16)/b3-2+ |
| InChIKey | WTMURTQUJBZDLA-NSCUHMNNSA-N |
| Mol Weight | 250.15 g/mol |
| Molecular Formula | C10H6F4O3 |
| Exact Mass | 250.025307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wQ7xjQtdXx |
|---|---|
| Name | Trans-4-methoxy-2,3,5,6-tetrafluorocinnamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.025306702 u |
| Formula | C10H6F4O3 |
| InChI | InChI=1S/C10H6F4O3/c1-17-10-8(13)6(11)4(2-3-5(15)16)7(12)9(10)14/h2-3H,1H3,(H,15,16)/b3-2+ |
| InChIKey | WTMURTQUJBZDLA-NSCUHMNNSA-N |
| Molecular Weight | 250.149 g/mol |
| SMILES | OC(\C=C\c1c(F)c(F)c(c(c1F)F)OC)=O |