| SpectraBase Compound ID | BMAU1pC1Hxl |
|---|---|
| InChI | InChI=1S/C10H5F7O2/c11-8(12,9(13,14)10(15,16)17)7(18)19-6-4-2-1-3-5-6/h1-5H |
| InChIKey | PTOIUCRNUZBPHY-UHFFFAOYSA-N |
| Mol Weight | 290.14 g/mol |
| Molecular Formula | C10H5F7O2 |
| Exact Mass | 290.017777 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E4xYZO4cboy |
|---|---|
| Name | Phenyl heptafluorobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.017776540 u |
| Formula | C10H5F7O2 |
| InChI | InChI=1S/C10H5F7O2/c11-8(12,9(13,14)10(15,16)17)7(18)19-6-4-2-1-3-5-6/h1-5H |
| InChIKey | PTOIUCRNUZBPHY-UHFFFAOYSA-N |
| Molecular Weight | 290.137 g/mol |
| SMILES | C1=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978129 |