| SpectraBase Compound ID | 6eIs5buyQD0 |
|---|---|
| InChI | InChI=1S/C10H10BrNO/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,12,13) |
| InChIKey | PYTIIVIRSZPWLA-UHFFFAOYSA-N |
| Mol Weight | 240.1 g/mol |
| Molecular Formula | C10H10BrNO |
| Exact Mass | 238.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GHTy4sc9tw6 |
|---|---|
| Name | 3-Bromo-N-phenylbut-3-enamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.994576945 u |
| Formula | C10H10BrNO |
| InChI | InChI=1S/C10H10BrNO/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,12,13) |
| InChIKey | PYTIIVIRSZPWLA-UHFFFAOYSA-N |
| Molecular Weight | 240.100 g/mol |
| SMILES | C1=C(NC(CC(=C)Br)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982271 |