| SpectraBase Compound ID | 2FpJDGs6Vr4 |
|---|---|
| InChI | InChI=1S/C9H14F2O2/c1-3-6-9(10,11)7-5-8(12)13-4-2/h3H,1,4-7H2,2H3 |
| InChIKey | AHDYYYPEABKSIJ-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C9H14F2O2 |
| Exact Mass | 192.096186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9NTrk6ThDMh |
|---|---|
| Name | Ethyl 4,4-difluorohept-6-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.096186015 u |
| Formula | C9H14F2O2 |
| InChI | InChI=1S/C9H14F2O2/c1-3-6-9(10,11)7-5-8(12)13-4-2/h3H,1,4-7H2,2H3 |
| InChIKey | AHDYYYPEABKSIJ-UHFFFAOYSA-N |
| Molecular Weight | 192.206 g/mol |
| SMILES | C(CCC(CC=C)(F)F)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961633 |