| SpectraBase Compound ID | EJ6pU4fNLiW |
|---|---|
| InChI | InChI=1S/C13H18BrNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | QOICZLJBFSFEIC-UHFFFAOYSA-N |
| Mol Weight | 284.2 g/mol |
| Molecular Formula | C13H18BrNO |
| Exact Mass | 283.057177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JJdUX4pcfrU |
|---|---|
| Name | Benzamide, 4-bromo-N,N-dipropyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.057177203 u |
| Formula | C13H18BrNO |
| InChI | InChI=1S/C13H18BrNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | QOICZLJBFSFEIC-UHFFFAOYSA-N |
| SMILES | C(=O)(N(CCC)CCC)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912191 |