| SpectraBase Compound ID | 499w2ISMlCk |
|---|---|
| InChI | InChI=1S/C9H12BrNO/c1-11(2)7-4-5-9(12-3)8(10)6-7/h4-6H,1-3H3 |
| InChIKey | ZPTYNMDNRYYQSI-UHFFFAOYSA-N |
| Mol Weight | 230.1 g/mol |
| Molecular Formula | C9H12BrNO |
| Exact Mass | 229.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LxngpzPMjGg |
|---|---|
| Name | 4-Methoxy-5-bromo-dimethylaminobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.010227009 u |
| Formula | C9H12BrNO |
| InChI | InChI=1S/C9H12BrNO/c1-11(2)7-4-5-9(12-3)8(10)6-7/h4-6H,1-3H3 |
| InChIKey | ZPTYNMDNRYYQSI-UHFFFAOYSA-N |
| Molecular Weight | 230.105 g/mol |
| SMILES | C1=CC(=C(C=C1N(C)C)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93612 |