| SpectraBase Compound ID | EC5vV01bjXS |
|---|---|
| InChI | InChI=1S/C13H18BrNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3 |
| InChIKey | LOAPBAUFBIFFPP-UHFFFAOYSA-N |
| Mol Weight | 300.2 g/mol |
| Molecular Formula | C13H18BrNO2 |
| Exact Mass | 299.052092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7BVZCXZ6MND |
|---|---|
| Name | 4-Bromo-2-hydroxy-N,N-diisopropylbenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.052091822 u |
| Formula | C13H18BrNO2 |
| InChI | InChI=1S/C13H18BrNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3 |
| InChIKey | LOAPBAUFBIFFPP-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1Br)C(N(C(C)C)C(C)C)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966449 |