| SpectraBase Compound ID | 3a8tW94NonB |
|---|---|
| InChI | InChI=1S/C10H20BrNO/c1-3-5-9-12(8-4-2)10(13)6-7-11/h3-9H2,1-2H3 |
| InChIKey | BBWUMMOXNZTWCB-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 | I9G7xGBzAEQ |
|---|---|
| Name | Propionamide, 3-bromo-N-propyl-N-butyl- |
| 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/c1-3-5-9-12(8-4-2)10(13)6-7-11/h3-9H2,1-2H3 |
| InChIKey | BBWUMMOXNZTWCB-UHFFFAOYSA-N |
| Molecular Weight | 250.180 g/mol |
| SMILES | C(N(CCC)CCCC)(=O)CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951345 |