| SpectraBase Compound ID | 2CxmpSUsTdy |
|---|---|
| InChI | InChI=1S/C9H7F3O/c10-9(11,12)5-4-7-2-1-3-8(13)6-7/h1-6,13H/b5-4+ |
| InChIKey | PVORCAFENNXNRC-SNAWJCMRSA-N |
| Mol Weight | 188.15 g/mol |
| Molecular Formula | C9H7F3O |
| Exact Mass | 188.044899 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7qN2s4NXZ6S |
|---|---|
| Name | (E)-1-(3-Hydroxyphenyl)-3,3,3-trifluoropropene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.044899333 u |
| Formula | C9H7F3O |
| InChI | InChI=1S/C9H7F3O/c10-9(11,12)5-4-7-2-1-3-8(13)6-7/h1-6,13H/b5-4+ |
| InChIKey | PVORCAFENNXNRC-SNAWJCMRSA-N |
| Molecular Weight | 188.149 g/mol |
| SMILES | C1(=CC=CC(\C=C\C(F)(F)F)=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912012 |