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(2S)-2-(3-pyridinyl)-1-pyrrolidinecarboxylic acid ethyl ester

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

(2S)-2-(3-pyridinyl)-1-pyrrolidinecarboxylic acid ethyl ester
SpectraBase Compound ID 3HJ1KG79kMg
InChI InChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m0/s1
InChIKey NESBODWIJLONJA-NSHDSACASA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9zMlQ17jQjf
Name (2S)-2-(3-Pyridinyl)-1-pyrrolidinecarboxylic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.121177761 u
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m0/s1
InChIKey NESBODWIJLONJA-NSHDSACASA-N
Molecular Weight 220.272 g/mol
SMILES C(N1[C@](C=2C=NC=CC2)(CCC1)[H])(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863887