| SpectraBase Compound ID | IY7CSma7LNT |
|---|---|
| InChI | InChI=1S/C13H12BrNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2 |
| InChIKey | RTDSBDMPNWSMTH-UHFFFAOYSA-N |
| Mol Weight | 278.15 g/mol |
| Molecular Formula | C13H12BrNO |
| Exact Mass | 277.010227 g/mol |
| SpectraBase Spectrum ID | 26RO4qSWXLo |
|---|---|
| Name | (5-Benzoxy-2-bromo-phenyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.010227009 u |
| Formula | C13H12BrNO |
| InChI | InChI=1S/C13H12BrNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2 |
| InChIKey | RTDSBDMPNWSMTH-UHFFFAOYSA-N |
| SMILES | C1(=CC(OCC=2C=CC=CC2)=CC=C1Br)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842166 |