| SpectraBase Compound ID | CRoPEEp5F2s |
|---|---|
| InChI | InChI=1S/C9H10F2O2/c10-9(11,8(13)6-12)7-4-2-1-3-5-7/h1-5,8,12-13H,6H2 |
| InChIKey | FDCQSLSYAJBEQE-UHFFFAOYSA-N |
| Mol Weight | 188.17 g/mol |
| Molecular Formula | C9H10F2O2 |
| Exact Mass | 188.064886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EHGnD5UGjlX |
|---|---|
| Name | 3,3-Difluoro-3-phenylpropan-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.064885886 u |
| Formula | C9H10F2O2 |
| InChI | InChI=1S/C9H10F2O2/c10-9(11,8(13)6-12)7-4-2-1-3-5-7/h1-5,8,12-13H,6H2 |
| InChIKey | FDCQSLSYAJBEQE-UHFFFAOYSA-N |
| Molecular Weight | 188.174 g/mol |
| SMILES | C(C(C(C=1C=CC=CC1)(F)F)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874822 |