| SpectraBase Compound ID | 3tKoFuRcCsW |
|---|---|
| InChI | InChI=1S/C10H7F3O2/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-5,14-15H |
| InChIKey | CGBKFCCCRCJTDJ-UHFFFAOYSA-N |
| Mol Weight | 216.16 g/mol |
| Molecular Formula | C10H7F3O2 |
| Exact Mass | 216.039814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8nTl3UKPolB |
|---|---|
| Name | 1,1,1-Trifluoro-4-phenyl-but-3-yn-2,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.039813952 u |
| Formula | C10H7F3O2 |
| InChI | InChI=1S/C10H7F3O2/c11-10(12,13)9(14,15)7-6-8-4-2-1-3-5-8/h1-5,14-15H |
| InChIKey | CGBKFCCCRCJTDJ-UHFFFAOYSA-N |
| Molecular Weight | 216.159 g/mol |
| SMILES | C(C(C#CC=1C=CC=CC1)(O)O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926607 |