| SpectraBase Compound ID | 80kIV82QmJu |
|---|---|
| InChI | InChI=1S/C11H12BrNO3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,15) |
| InChIKey | QCNOMXREIGAWKA-UHFFFAOYSA-N |
| Mol Weight | 286.12 g/mol |
| Molecular Formula | C11H12BrNO3 |
| Exact Mass | 285.000056 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | xZrpv1hfky |
|---|---|
| Name | (2-Bromo-benzoylamino)-acetic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.000056247 u |
| Formula | C11H12BrNO3 |
| InChI | InChI=1S/C11H12BrNO3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,15) |
| InChIKey | QCNOMXREIGAWKA-UHFFFAOYSA-N |
| SMILES | C1(C(NCC(=O)OCC)=O)=C(Br)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932215 |