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4-Cyano-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Cyano-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DQWCRkpCLrn
Name 4-Cyano-5-phenyl-2-pyrrolidinecarboxylic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89953