| SpectraBase Compound ID | A0FMHoTVaO3 |
|---|---|
| InChI | InChI=1S/C8H8BrNO/c1-10-7-5-6(9)3-2-4-8(7)11/h2-5H,1H3,(H,10,11) |
| InChIKey | PDWSETCUSRDNHW-UHFFFAOYSA-N |
| Mol Weight | 214.06 g/mol |
| Molecular Formula | C8H8BrNO |
| Exact Mass | 212.978927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3pPn1ES2HfR |
|---|---|
| Name | 4-Bromo-2-(methylamino)tropone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.978926881 u |
| Formula | C8H8BrNO |
| InChI | InChI=1S/C8H8BrNO/c1-10-7-5-6(9)3-2-4-8(7)11/h2-5H,1H3,(H,10,11) |
| InChIKey | PDWSETCUSRDNHW-UHFFFAOYSA-N |
| Molecular Weight | 214.062 g/mol |
| SMILES | C1(=CC=CC(C(=C1)NC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896848 |