| SpectraBase Compound ID | GMvvxroJ7z2 |
|---|---|
| InChI | InChI=1S/C8H6BrFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) |
| InChIKey | PNBIYFPZODYMOO-UHFFFAOYSA-N |
| Mol Weight | 233.04 g/mol |
| Molecular Formula | C8H6BrFO2 |
| Exact Mass | 231.953521 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2J4eYHraSn |
|---|---|
| Name | 4-Bromo-2-fluorophenylacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.953520594 u |
| Formula | C8H6BrFO2 |
| InChI | InChI=1S/C8H6BrFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12) |
| InChIKey | PNBIYFPZODYMOO-UHFFFAOYSA-N |
| Molecular Weight | 233.036 g/mol |
| SMILES | C1(F)=C(C=CC(=C1)Br)CC(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92873 |