| SpectraBase Compound ID | j6x7rphJBr |
|---|---|
| InChI | InChI=1S/C8H9Br2NO/c1-4-5(9)3-6(12-2)8(11)7(4)10/h3H,11H2,1-2H3 |
| InChIKey | FJDWLEQMNBUAFN-UHFFFAOYSA-N |
| Mol Weight | 294.97 g/mol |
| Molecular Formula | C8H9Br2NO |
| Exact Mass | 292.90509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ECAypP3ekpB |
|---|---|
| Name | Benzenamine, 2,4-dibromo-6-methoxy-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.905089913 u |
| Formula | C8H9Br2NO |
| InChI | InChI=1S/C8H9Br2NO/c1-4-5(9)3-6(12-2)8(11)7(4)10/h3H,11H2,1-2H3 |
| InChIKey | FJDWLEQMNBUAFN-UHFFFAOYSA-N |
| Molecular Weight | 294.974 g/mol |
| SMILES | COC1=CC(Br)=C(C(=C1N)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931757 |