| SpectraBase Compound ID | KDgRTBphwmR |
|---|---|
| InChI | InChI=1S/C5H8BrNO/c1-2-7-5(8)3-4-6/h3-4H,2H2,1H3,(H,7,8)/b4-3- |
| InChIKey | MZAYPEHEQRASSI-ARJAWSKDSA-N |
| Mol Weight | 178.03 g/mol |
| Molecular Formula | C5H8BrNO |
| Exact Mass | 176.978927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2LMA8vBM6s0 |
|---|---|
| Name | N-Ethyl (Z)-3-bromopropenamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.978926881 u |
| Formula | C5H8BrNO |
| InChI | InChI=1S/C5H8BrNO/c1-2-7-5(8)3-4-6/h3-4H,2H2,1H3,(H,7,8)/b4-3- |
| InChIKey | MZAYPEHEQRASSI-ARJAWSKDSA-N |
| Molecular Weight | 178.029 g/mol |
| SMILES | C(\C=C/Br)(=O)NCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943569 |