| SpectraBase Compound ID | 8Li05xeMZql |
|---|---|
| InChI | InChI=1S/C10H5F5O2/c1-17-5(16)3-2-4-6(11)8(13)10(15)9(14)7(4)12/h2-3H,1H3/b3-2+ |
| InChIKey | JSUFHUYAYJRFBH-NSCUHMNNSA-N |
| Mol Weight | 252.14 g/mol |
| Molecular Formula | C10H5F5O2 |
| Exact Mass | 252.02097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaJ3vHXkaC4 |
|---|---|
| Name | (E)-3-(2,3,4,5,6-Pentafluorophenyl)-2-propenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.020970214 u |
| Formula | C10H5F5O2 |
| InChI | InChI=1S/C10H5F5O2/c1-17-5(16)3-2-4-6(11)8(13)10(15)9(14)7(4)12/h2-3H,1H3/b3-2+ |
| InChIKey | JSUFHUYAYJRFBH-NSCUHMNNSA-N |
| Molecular Weight | 252.140 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)\C=C\C(=O)OC |