| SpectraBase Compound ID | KiZaEo2Ucsg |
|---|---|
| InChI | InChI=1S/C10H10BrNO2/c1-6(13)8-3-4-10(9(11)5-8)12-7(2)14/h3-5H,1-2H3,(H,12,14) |
| InChIKey | PMYJAVHDFDKJBS-UHFFFAOYSA-N |
| Mol Weight | 256.1 g/mol |
| Molecular Formula | C10H10BrNO2 |
| Exact Mass | 254.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | utxX3Czlq7 |
|---|---|
| Name | 4-Acetamido-3-bromoacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.989491564 u |
| Formula | C10H10BrNO2 |
| InChI | InChI=1S/C10H10BrNO2/c1-6(13)8-3-4-10(9(11)5-8)12-7(2)14/h3-5H,1-2H3,(H,12,14) |
| InChIKey | PMYJAVHDFDKJBS-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1Br)C(C)=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979477 |