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5-oxo-3-Phenyl-2,2-pyrrolidinedicarboxylic acid, diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

5-oxo-3-Phenyl-2,2-pyrrolidinedicarboxylic acid, diethyl ester
SpectraBase Compound ID KZneDRFs0PS
InChI InChI=1S/C16H19NO5/c1-3-21-14(19)16(15(20)22-4-2)12(10-13(18)17-16)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,18)
InChIKey RQXLSXSKRKTNTK-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Apy4TxP5BGG
Name 5-oxo-3-Phenyl-2,2-pyrrolidinedicarboxylic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.126322711 u
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-3-21-14(19)16(15(20)22-4-2)12(10-13(18)17-16)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,17,18)
InChIKey RQXLSXSKRKTNTK-UHFFFAOYSA-N
SMILES N1C(C(CC1=O)C=1C=CC=CC1)(C(OCC)=O)C(=O)OCC
Spectrum/Structure Validation Score (Raman) 0.935547