| SpectraBase Compound ID | 2ineg1r50AS |
|---|---|
| InChI | InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H |
| InChIKey | PYLWMHQQBFSUBP-UHFFFAOYSA-N |
| Mol Weight | 96.1 g/mol |
| Molecular Formula | C6H5F |
| Exact Mass | 96.037528 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CSaARPIzx7Y |
|---|---|
| Name | Fluorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.037528324 u |
| Formula | C6H5F |
| InChI | InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H |
| InChIKey | PYLWMHQQBFSUBP-UHFFFAOYSA-N |
| Molecular Weight | 96.104 g/mol |
| SMILES | C=1C(=CC=CC1)F |
| Spectrum/Structure Validation Score (Raman) | 0.959177 |