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1-Pyrrolidinecarboxy-2',4'-xylidide

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

1-Pyrrolidinecarboxy-2',4'-xylidide
SpectraBase Compound ID JtsWEOV3hKc
InChI InChI=1S/C13H18N2O/c1-10-5-6-12(11(2)9-10)14-13(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKey WKKPLFRFVXOUQZ-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C13H18N2O
Exact Mass 218.141913 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2Odg1eLnMmY
Name 1-Pyrrolidinecarboxy-2',4'-xylidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.141913207 u
Formula C13H18N2O
InChI InChI=1S/C13H18N2O/c1-10-5-6-12(11(2)9-10)14-13(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKey WKKPLFRFVXOUQZ-UHFFFAOYSA-N
Molecular Weight 218.300 g/mol
SMILES N(C1=CC=C(C=C1C)C)C(N1CCCC1)=O
Spectrum/Structure Validation Score (Raman) 0.990503