| SpectraBase Compound ID | GOLoJ2DiYSE |
|---|---|
| InChI | InChI=1S/C10H20BrNO/c1-2-3-4-5-9-12-10(13)7-6-8-11/h2-9H2,1H3,(H,12,13) |
| InChIKey | JANDBDGTFUBAEF-UHFFFAOYSA-N |
| Mol Weight | 250.18 g/mol |
| Molecular Formula | C10H20BrNO |
| Exact Mass | 249.072827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ljk4imkkbgP |
|---|---|
| Name | Butyramide, 4-bromo-N-hexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.072827267 u |
| Formula | C10H20BrNO |
| InChI | InChI=1S/C10H20BrNO/c1-2-3-4-5-9-12-10(13)7-6-8-11/h2-9H2,1H3,(H,12,13) |
| InChIKey | JANDBDGTFUBAEF-UHFFFAOYSA-N |
| Molecular Weight | 250.180 g/mol |
| SMILES | C(CCCBr)(NCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968297 |