| SpectraBase Compound ID | DGP2rHuKktT |
|---|---|
| InChI | InChI=1S/C13H14N2O2/c1-17-13(16)11-7-10(8-14)12(15-11)9-5-3-2-4-6-9/h2-6,10-12,15H,7H2,1H3 |
| InChIKey | XJYOFMULFRBUDM-UHFFFAOYSA-N |
| Mol Weight | 230.27 g/mol |
| Molecular Formula | C13H14N2O2 |
| Exact Mass | 230.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MnuuDKJHN6 |
|---|---|
| Name | 4-Cyano-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.105527697 u |
| Formula | C13H14N2O2 |
| InChI | InChI=1S/C13H14N2O2/c1-17-13(16)11-7-10(8-14)12(15-11)9-5-3-2-4-6-9/h2-6,10-12,15H,7H2,1H3 |
| InChIKey | XJYOFMULFRBUDM-UHFFFAOYSA-N |
| Molecular Weight | 230.267 g/mol |
| SMILES | C1(NC(CC1C#N)C(=O)OC)C1=CC=CC=C1 |