| SpectraBase Compound ID | C0hDXFZBVhi |
|---|---|
| InChI | InChI=1S/C13H16BrNO2/c14-12-3-1-11(2-4-12)13(16)5-6-15-7-9-17-10-8-15/h1-4H,5-10H2 |
| InChIKey | LEVUOWPKAZBDFW-UHFFFAOYSA-N |
| Mol Weight | 298.18 g/mol |
| Molecular Formula | C13H16BrNO2 |
| Exact Mass | 297.036442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GOK1MuEJNdg |
|---|---|
| Name | 1-(4-Bromophenyl)-3-morpholino-propan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.036441757 u |
| Formula | C13H16BrNO2 |
| InChI | InChI=1S/C13H16BrNO2/c14-12-3-1-11(2-4-12)13(16)5-6-15-7-9-17-10-8-15/h1-4H,5-10H2 |
| InChIKey | LEVUOWPKAZBDFW-UHFFFAOYSA-N |
| SMILES | C(CCN1CCOCC1)(=O)C1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822133 |