| SpectraBase Compound ID | 5SsMDFNcDIR |
|---|---|
| InChI | InChI=1S/C13H14F2O2/c1-2-3-8-17-13(16)7-5-10-4-6-11(14)12(15)9-10/h4-7,9H,2-3,8H2,1H3/b7-5+ |
| InChIKey | QGOOIIHJIIDUKH-FNORWQNLSA-N |
| Mol Weight | 240.25 g/mol |
| Molecular Formula | C13H14F2O2 |
| Exact Mass | 240.096186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmA7uPX64qv |
|---|---|
| Name | Butyl (2E)-3-(3,4-difluorophenyl)prop-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.096186015 u |
| Formula | C13H14F2O2 |
| InChI | InChI=1S/C13H14F2O2/c1-2-3-8-17-13(16)7-5-10-4-6-11(14)12(15)9-10/h4-7,9H,2-3,8H2,1H3/b7-5+ |
| InChIKey | QGOOIIHJIIDUKH-FNORWQNLSA-N |
| Molecular Weight | 240.250 g/mol |
| SMILES | C(\C=C\C=1C=C(C(=CC1)F)F)(=O)OCCCC |