| SpectraBase Compound ID | 8COLCSVwND |
|---|---|
| InChI | InChI=1S/C7H7BrClNO/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,10H2,1H3 |
| InChIKey | CAYJPMAXJIWLBZ-UHFFFAOYSA-N |
| Mol Weight | 236.5 g/mol |
| Molecular Formula | C7H7BrClNO |
| Exact Mass | 234.939955 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K8wiUhHVmXG |
|---|---|
| Name | 3-Bromo-5-chloro-2-methoxyaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.939954548 u |
| Formula | C7H7BrClNO |
| InChI | InChI=1S/C7H7BrClNO/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,10H2,1H3 |
| InChIKey | CAYJPMAXJIWLBZ-UHFFFAOYSA-N |
| Molecular Weight | 236.496 g/mol |
| SMILES | C1(Br)=C(C(=CC(=C1)Cl)N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868543 |