| SpectraBase Compound ID | 9AeYUDueZuZ |
|---|---|
| InChI | InChI=1S/C9H18BrNO/c1-2-3-4-5-6-7-11-9(12)8-10/h2-8H2,1H3,(H,11,12) |
| InChIKey | IKIDKUUEELNQKF-UHFFFAOYSA-N |
| Mol Weight | 236.15 g/mol |
| Molecular Formula | C9H18BrNO |
| Exact Mass | 235.057177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2ToIPXsi79F |
|---|---|
| Name | Bromacetamide, N-heptyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.057177203 u |
| Formula | C9H18BrNO |
| InChI | InChI=1S/C9H18BrNO/c1-2-3-4-5-6-7-11-9(12)8-10/h2-8H2,1H3,(H,11,12) |
| InChIKey | IKIDKUUEELNQKF-UHFFFAOYSA-N |
| Molecular Weight | 236.153 g/mol |
| SMILES | C(C(=O)NCCCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976991 |