| SpectraBase Compound ID | 1tYg8iavNGq |
|---|---|
| InChI | InChI=1S/C12H12BrNO3/c1-2-17-12(16)8-7-11(15)14-10-6-4-3-5-9(10)13/h3-8H,2H2,1H3,(H,14,15)/b8-7+ |
| InChIKey | AJPJANITBSUSKZ-BQYQJAHWSA-N |
| Mol Weight | 298.14 g/mol |
| Molecular Formula | C12H12BrNO3 |
| Exact Mass | 297.000056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuNRvUdqPzE |
|---|---|
| Name | Fumaric monoamide, N-(2-bromophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.000056247 u |
| Formula | C12H12BrNO3 |
| InChI | InChI=1S/C12H12BrNO3/c1-2-17-12(16)8-7-11(15)14-10-6-4-3-5-9(10)13/h3-8H,2H2,1H3,(H,14,15)/b8-7+ |
| InChIKey | AJPJANITBSUSKZ-BQYQJAHWSA-N |
| Molecular Weight | 298.136 g/mol |
| SMILES | C1=C(C(=CC=C1)Br)NC(=O)\C=C\C(OCC)=O |