| SpectraBase Compound ID | EfKx1i3lsVl |
|---|---|
| InChI | InChI=1S/C5H6F4O2/c6-4(7)1-10-3-11-2-5(4,8)9/h1-3H2 |
| InChIKey | TZCNRXCFYPMIDB-UHFFFAOYSA-N |
| Mol Weight | 174.09 g/mol |
| Molecular Formula | C5H6F4O2 |
| Exact Mass | 174.030392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GPCzVLtfwx6 |
|---|---|
| Name | 1,3-Dioxepane, 5,5,6,6-tetrafluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.030392083 u |
| Formula | C5H6F4O2 |
| InChI | InChI=1S/C5H6F4O2/c6-4(7)1-10-3-11-2-5(4,8)9/h1-3H2 |
| InChIKey | TZCNRXCFYPMIDB-UHFFFAOYSA-N |
| Molecular Weight | 174.095 g/mol |
| SMILES | C1(F)(F)C(F)(F)COCOC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907504 |