| SpectraBase Compound ID | 86oSeyskTJ2 |
|---|---|
| InChI | InChI=1S/C9H8BrFO2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5H2,1H3 |
| InChIKey | OJBQAHZJVDWSFD-UHFFFAOYSA-N |
| Mol Weight | 247.06 g/mol |
| Molecular Formula | C9H8BrFO2 |
| Exact Mass | 245.969171 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IKo5rmLnUm7 |
|---|---|
| Name | Methyl 4-(bromomethyl)-3-fluorobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.969170659 u |
| Formula | C9H8BrFO2 |
| InChI | InChI=1S/C9H8BrFO2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5H2,1H3 |
| InChIKey | OJBQAHZJVDWSFD-UHFFFAOYSA-N |
| Molecular Weight | 247.063 g/mol |
| SMILES | C(C=1C=C(C(=CC1)CBr)F)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961107 |