| SpectraBase Compound ID | BQ7FjE1zKbJ |
|---|---|
| InChI | InChI=1S/C10H10BrNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13) |
| InChIKey | RWWFLEVLFXJHIB-UHFFFAOYSA-N |
| Mol Weight | 272.1 g/mol |
| Molecular Formula | C10H10BrNO3 |
| Exact Mass | 270.984406 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K7Kxa0G0qnz |
|---|---|
| Name | Ethyl (4-bromoanilino)(oxo)acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.984406183 u |
| Formula | C10H10BrNO3 |
| InChI | InChI=1S/C10H10BrNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13) |
| InChIKey | RWWFLEVLFXJHIB-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(C=C1)NC(=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958821 |