| SpectraBase Compound ID | 8O5D0vmfTkH |
|---|---|
| InChI | InChI=1S/C7H12BrNO/c1-6(8)4-2-3-5-7(9)10/h1-5H2,(H2,9,10) |
| InChIKey | DQHSCCXUNMXRFZ-UHFFFAOYSA-N |
| Mol Weight | 206.08 g/mol |
| Molecular Formula | C7H12BrNO |
| Exact Mass | 205.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4nPLmMaDa5J |
|---|---|
| Name | 6-Bromohept-6-enamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.010227009 u |
| Formula | C7H12BrNO |
| InChI | InChI=1S/C7H12BrNO/c1-6(8)4-2-3-5-7(9)10/h1-5H2,(H2,9,10) |
| InChIKey | DQHSCCXUNMXRFZ-UHFFFAOYSA-N |
| Molecular Weight | 206.083 g/mol |
| SMILES | C(CC(=C)Br)CCC(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816637 |