| SpectraBase Compound ID | 6HXiCxwX4Wr |
|---|---|
| InChI | InChI=1S/C12H9FO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,14H |
| InChIKey | KJRDLLHRSNOCLG-UHFFFAOYSA-N |
| Mol Weight | 204.2 g/mol |
| Molecular Formula | C12H9FO2 |
| Exact Mass | 204.058658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EtDz4gURKFQ |
|---|---|
| Name | 3-(4-Fluorophenoxy)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.058657691 u |
| Formula | C12H9FO2 |
| InChI | InChI=1S/C12H9FO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,14H |
| InChIKey | KJRDLLHRSNOCLG-UHFFFAOYSA-N |
| Molecular Weight | 204.200 g/mol |
| SMILES | C1(O)=CC(OC2=CC=C(F)C=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900778 |