| SpectraBase Compound ID | DvuFiFugO08 |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-2-16-13(15)12(10-14)9-8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3/b12-9+ |
| InChIKey | NIAQFDFUIIQKFD-FMIVXFBMSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bmSgnSAT3w |
|---|---|
| Name | Ethyl (E)-4-phenyl)-2-cyano-2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c1-2-16-13(15)12(10-14)9-8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3/b12-9+ |
| InChIKey | NIAQFDFUIIQKFD-FMIVXFBMSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C(\C(C#N)=C\CC1=CC=CC=C1)(=O)OCC |