| SpectraBase Compound ID | EBKRGGfKeKh |
|---|---|
| InChI | InChI=1S/C8H16BrNO/c1-2-5-8(11)10-7-4-3-6-9/h2-7H2,1H3,(H,10,11) |
| InChIKey | LHDXQOBHPOUNBC-UHFFFAOYSA-N |
| Mol Weight | 222.13 g/mol |
| Molecular Formula | C8H16BrNO |
| Exact Mass | 221.041527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BtluO0c7Url |
|---|---|
| Name | N-(4-Bromobutyl)butanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.041527138 u |
| Formula | C8H16BrNO |
| InChI | InChI=1S/C8H16BrNO/c1-2-5-8(11)10-7-4-3-6-9/h2-7H2,1H3,(H,10,11) |
| InChIKey | LHDXQOBHPOUNBC-UHFFFAOYSA-N |
| Molecular Weight | 222.126 g/mol |
| SMILES | C(CCC)(=O)NCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950286 |