| SpectraBase Compound ID | C09M1SL1RmR |
|---|---|
| InChI | InChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | UTCZANJRXCJUGL-QPJJXVBHSA-N |
| Mol Weight | 230.19 g/mol |
| Molecular Formula | C11H9F3O2 |
| Exact Mass | 230.055464 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5A9OdGQw1TP |
|---|---|
| Name | o-Trifluoroacetyl cinnamyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.055464017 u |
| Formula | C11H9F3O2 |
| InChI | InChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey | UTCZANJRXCJUGL-QPJJXVBHSA-N |
| Molecular Weight | 230.186 g/mol |
| SMILES | C1=C(C=CC=C1)\C=C\COC(=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913722 |