| SpectraBase Compound ID | 6NM0PFNDQM3 |
|---|---|
| InChI | InChI=1S/C4H5BrO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7) |
| InChIKey | RCSHMHONAMIVTQ-UHFFFAOYSA-N |
| Mol Weight | 164.99 g/mol |
| Molecular Formula | C4H5BrO2 |
| Exact Mass | 163.947292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3NE8DKjHZ5Y |
|---|---|
| Name | 3-Bromo-3-butenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.947292399 u |
| Formula | C4H5BrO2 |
| InChI | InChI=1S/C4H5BrO2/c1-3(5)2-4(6)7/h1-2H2,(H,6,7) |
| InChIKey | RCSHMHONAMIVTQ-UHFFFAOYSA-N |
| SMILES | C(C(=O)O)C(=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983735 |