![Phenol, 4-[.alpha.-bromopropionamido]-](/api/spectrum/A49pY9XQOw5/structure.png?h=300&w=458 "Phenol, 4-[.alpha.-bromopropionamido]-")
| SpectraBase Compound ID | HfcN9PaBB2g |
|---|---|
| InChI | InChI=1S/C9H10BrNO2/c1-6(10)9(13)11-7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H,11,13) |
| InChIKey | GTYYRVMAIXDCKY-UHFFFAOYSA-N |
| Mol Weight | 244.09 g/mol |
| Molecular Formula | C9H10BrNO2 |
| Exact Mass | 242.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A49pY9XQOw5 |
|---|---|
| Name | Phenol, 4-[.alpha.-bromopropionamido]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.989491564 u |
| Formula | C9H10BrNO2 |
| InChI | InChI=1S/C9H10BrNO2/c1-6(10)9(13)11-7-2-4-8(12)5-3-7/h2-6,12H,1H3,(H,11,13) |
| InChIKey | GTYYRVMAIXDCKY-UHFFFAOYSA-N |
| Molecular Weight | 244.088 g/mol |
| SMILES | C1(=CC=C(C=C1)O)NC(=O)C(Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932599 |