| SpectraBase Compound ID | J5kbl6ZMLSi |
|---|---|
| InChI | InChI=1S/C8H12BrNO/c1-4-5-10(8(3)11)6-7(2)9/h4H,1-2,5-6H2,3H3 |
| InChIKey | PWSOKCHKDPRJCW-UHFFFAOYSA-N |
| Mol Weight | 218.09 g/mol |
| Molecular Formula | C8H12BrNO |
| Exact Mass | 217.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G2FLHHaLL6c |
|---|---|
| Name | N-(2-Bromanylprop-2-enyl)-N-prop-2-enyl-ethanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.010227009 u |
| Formula | C8H12BrNO |
| InChI | InChI=1S/C8H12BrNO/c1-4-5-10(8(3)11)6-7(2)9/h4H,1-2,5-6H2,3H3 |
| InChIKey | PWSOKCHKDPRJCW-UHFFFAOYSA-N |
| Molecular Weight | 218.094 g/mol |
| SMILES | C(N(CC(=C)Br)CC=C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922731 |