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5-oxo-1-m-Tolyl-3-pyrrolidinecarboxylic acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

5-oxo-1-m-Tolyl-3-pyrrolidinecarboxylic acid
SpectraBase Compound ID CezogTcfEVL
InChI InChI=1S/C12H13NO3/c1-8-3-2-4-10(5-8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKey FEIYFABONGDZKQ-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DMYhAbzG867
Name 5-oxo-1-m-Tolyl-3-pyrrolidinecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-8-3-2-4-10(5-8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKey FEIYFABONGDZKQ-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES OC(C1CC(N(C1)C1=CC=CC(=C1)C)=O)=O
Spectrum/Structure Validation Score (Raman) 0.925865