| SpectraBase Compound ID | EQiQJ14cEa9 |
|---|---|
| InChI | InChI=1S/C9H8F2O/c10-9(11)5-8(9)6-2-1-3-7(12)4-6/h1-4,8,12H,5H2 |
| InChIKey | GHKXVUBTZARHPW-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C9H8F2O |
| Exact Mass | 170.054321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JeYyGZaZ5pI |
|---|---|
| Name | 3-(2,2-Difluorocyclopropyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.054321203 u |
| Formula | C9H8F2O |
| InChI | InChI=1S/C9H8F2O/c10-9(11)5-8(9)6-2-1-3-7(12)4-6/h1-4,8,12H,5H2 |
| InChIKey | GHKXVUBTZARHPW-UHFFFAOYSA-N |
| Molecular Weight | 170.159 g/mol |
| SMILES | C1C(C2=CC(=CC=C2)O)C1(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889758 |