| SpectraBase Compound ID | A8eUup5VuFM |
|---|---|
| InChI | InChI=1S/C13H12BrNO2/c1-3-17-13(16)12(8-15)9(2)10-4-6-11(14)7-5-10/h4-7H,3H2,1-2H3/b12-9- |
| InChIKey | ASDNBQXYDPUCHU-XFXZXTDPSA-N |
| Mol Weight | 294.15 g/mol |
| Molecular Formula | C13H12BrNO2 |
| Exact Mass | 293.005142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPpejS8Is5L |
|---|---|
| Name | Ethyl 4-bromo-alpha-cyano-beta-methyl-cis-cinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.005141628 u |
| Formula | C13H12BrNO2 |
| InChI | InChI=1S/C13H12BrNO2/c1-3-17-13(16)12(8-15)9(2)10-4-6-11(14)7-5-10/h4-7H,3H2,1-2H3/b12-9- |
| InChIKey | ASDNBQXYDPUCHU-XFXZXTDPSA-N |
| SMILES | C1=C(C=CC(=C1)Br)\C(=C/(C(=O)OCC)C#N)C |