| SpectraBase Compound ID | 2YOxcGh60ZB |
|---|---|
| InChI | InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6) |
| InChIKey | ZSHNFLCNZCPFAB-UHFFFAOYSA-N |
| Mol Weight | 148.943 g/mol |
| Molecular Formula | C3HBrO2 |
| Exact Mass | 147.915992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D89bCbQjguN |
|---|---|
| Name | Bromopropargylic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.915992270 u |
| Formula | C3HBrO2 |
| InChI | InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6) |
| InChIKey | ZSHNFLCNZCPFAB-UHFFFAOYSA-N |
| Molecular Weight | 148.943 g/mol |
| SMILES | C(=O)(O)C#CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840599 |