| SpectraBase Compound ID | 4coG6RM1yla |
|---|---|
| InChI | InChI=1S/C6H7BrO2/c1-3-6(8)9-4-5(2)7/h3H,1-2,4H2 |
| InChIKey | UIZLFWUXEVPNKD-UHFFFAOYSA-N |
| Mol Weight | 191.02 g/mol |
| Molecular Formula | C6H7BrO2 |
| Exact Mass | 189.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1elrr3TdrEt |
|---|---|
| Name | 2-Bromanylprop-2-enyl prop-2-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.962942463 u |
| Formula | C6H7BrO2 |
| InChI | InChI=1S/C6H7BrO2/c1-3-6(8)9-4-5(2)7/h3H,1-2,4H2 |
| InChIKey | UIZLFWUXEVPNKD-UHFFFAOYSA-N |
| Molecular Weight | 191.024 g/mol |
| SMILES | C(C=C)(=O)OCC(=C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960438 |