| SpectraBase Compound ID | EoKVXYCuVDF |
|---|---|
| InChI | InChI=1S/C12H10BrNO2/c1-2-16-8-10(7-14)12(15)9-3-5-11(13)6-4-9/h3-6,8H,2H2,1H3/b10-8+ |
| InChIKey | DQRJILMLEDRUQB-CSKARUKUSA-N |
| Mol Weight | 280.12 g/mol |
| Molecular Formula | C12H10BrNO2 |
| Exact Mass | 278.989492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CU43lJeOjYw |
|---|---|
| Name | 2-(4-Bromobenzoyl)-3-ethoxyacrylonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.989491564 u |
| Formula | C12H10BrNO2 |
| InChI | InChI=1S/C12H10BrNO2/c1-2-16-8-10(7-14)12(15)9-3-5-11(13)6-4-9/h3-6,8H,2H2,1H3/b10-8+ |
| InChIKey | DQRJILMLEDRUQB-CSKARUKUSA-N |
| Molecular Weight | 280.121 g/mol |
| SMILES | C(\C(C#N)=C\OCC)(C1=CC=C(C=C1)Br)=O |