| SpectraBase Compound ID | 10bF2poKsLo |
|---|---|
| InChI | InChI=1S/C9H14F2O2/c1-2-3-4-5-9(12)13-7-6-8(10)11/h6H,2-5,7H2,1H3 |
| InChIKey | BFVCKSKTEVBFPX-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 | DLSAE0JwlFQ |
|---|---|
| Name | Hexanoic acid, 3,3-difluoroallyl ester |
| 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/c1-2-3-4-5-9(12)13-7-6-8(10)11/h6H,2-5,7H2,1H3 |
| InChIKey | BFVCKSKTEVBFPX-UHFFFAOYSA-N |
| Molecular Weight | 192.206 g/mol |
| SMILES | C(OCC=C(F)F)(CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973969 |