| SpectraBase Compound ID | CvdRJDJvHBM |
|---|---|
| InChI | InChI=1S/C9H8BrFO2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3 |
| InChIKey | QBGQCRUYARHQGO-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 | 4VFQ0PfRhTq |
|---|---|
| Name | 4-Bromo-2-fluorophenylacetic acid, me derivative |
| 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)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3 |
| InChIKey | QBGQCRUYARHQGO-UHFFFAOYSA-N |
| Molecular Weight | 247.063 g/mol |
| SMILES | C1(F)=C(C=CC(=C1)Br)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925778 |