![2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-](/api/spectrum/7mDEi8EtbAK/structure.png?h=300&w=458 "2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-")
| SpectraBase Compound ID | FXH651LFIT7 |
|---|---|
| InChI | InChI=1S/C14H16N2O2/c1-3-16(4-2)13-7-5-11(6-8-13)9-12(10-15)14(17)18/h5-9H,3-4H2,1-2H3,(H,17,18)/b12-9+ |
| InChIKey | YPUZCMVSMPWSKU-FMIVXFBMSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C14H16N2O2 |
| Exact Mass | 244.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mDEi8EtbAK |
|---|---|
| Name | 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.121177761 u |
| Formula | C14H16N2O2 |
| InChI | InChI=1S/C14H16N2O2/c1-3-16(4-2)13-7-5-11(6-8-13)9-12(10-15)14(17)18/h5-9H,3-4H2,1-2H3,(H,17,18)/b12-9+ |
| InChIKey | YPUZCMVSMPWSKU-FMIVXFBMSA-N |
| Molecular Weight | 244.294 g/mol |
| SMILES | C1=CC(=CC=C1\C=C\(C(O)=O)C#N)N(CC)CC |