| SpectraBase Compound ID | KejwnJeqMFq |
|---|---|
| InChI | InChI=1S/C16H16N2O2/c1-2-20-16(19)14(12-17)15(18-10-6-7-11-18)13-8-4-3-5-9-13/h3-11,14-15H,2H2,1H3 |
| InChIKey | VPEDOLMKHDQHJM-UHFFFAOYSA-N |
| Mol Weight | 268.32 g/mol |
| Molecular Formula | C16H16N2O2 |
| Exact Mass | 268.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81JHUKaQBE4 |
|---|---|
| Name | 1H-Pyrrole-1-propanoic acid, .alpha.-cyano-.beta.-phenyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.121177761 u |
| Formula | C16H16N2O2 |
| InChI | InChI=1S/C16H16N2O2/c1-2-20-16(19)14(12-17)15(18-10-6-7-11-18)13-8-4-3-5-9-13/h3-11,14-15H,2H2,1H3 |
| InChIKey | VPEDOLMKHDQHJM-UHFFFAOYSA-N |
| SMILES | C(C(N1C=CC=C1)C=1C=CC=CC1)(C(=O)OCC)C#N |