| SpectraBase Compound ID | H2qVblWRrA2 |
|---|---|
| InChI | InChI=1S/C7H10F2O3/c1-2-12-6(11)7(8,9)4-3-5-10/h3-4,10H,2,5H2,1H3/b4-3+ |
| InChIKey | DAOSCSGJMYDLKT-ONEGZZNKSA-N |
| Mol Weight | 180.15 g/mol |
| Molecular Formula | C7H10F2O3 |
| Exact Mass | 180.059801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ogMNUF9dd |
|---|---|
| Name | (E)-Hoch2Ch=CHCF2CO2ET |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.059800505 u |
| Formula | C7H10F2O3 |
| InChI | InChI=1S/C7H10F2O3/c1-2-12-6(11)7(8,9)4-3-5-10/h3-4,10H,2,5H2,1H3/b4-3+ |
| InChIKey | DAOSCSGJMYDLKT-ONEGZZNKSA-N |
| Molecular Weight | 180.151 g/mol |
| SMILES | C(O)\C=C\C(F)(F)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930819 |