| SpectraBase Compound ID | 9q6tqTB6A4s |
|---|---|
| InChI | InChI=1S/C7H6BrNO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H,9H2 |
| InChIKey | SHBYVHVNHYBESU-UHFFFAOYSA-N |
| Mol Weight | 200.03 g/mol |
| Molecular Formula | C7H6BrNO |
| Exact Mass | 198.963277 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8wsHVreNfTD |
|---|---|
| Name | 4-Amino-3-bromobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.963276816 u |
| Formula | C7H6BrNO |
| InChI | InChI=1S/C7H6BrNO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H,9H2 |
| InChIKey | SHBYVHVNHYBESU-UHFFFAOYSA-N |
| Molecular Weight | 200.035 g/mol |
| SMILES | C(C=1C=C(C(=CC1)N)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926605 |