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3-Pyrrolidinecarboxylic acid, 5-oxo-1-(4-pyridinylmethyl)-
SpectraBase Compound ID 3eH1n8nLYLt
InChI InChI=1S/C11H12N2O3/c14-10-5-9(11(15)16)7-13(10)6-8-1-3-12-4-2-8/h1-4,9H,5-7H2,(H,15,16)
InChIKey BCJSOSLBUXFEGE-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C11H12N2O3
Exact Mass 220.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3bR1aKa2nX
Name 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(4-pyridinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.084792251 u
Formula C11H12N2O3
InChI InChI=1S/C11H12N2O3/c14-10-5-9(11(15)16)7-13(10)6-8-1-3-12-4-2-8/h1-4,9H,5-7H2,(H,15,16)
InChIKey BCJSOSLBUXFEGE-UHFFFAOYSA-N
Molecular Weight 220.228 g/mol
SMILES C1=CN=CC=C1CN1CC(C(=O)O)CC1=O