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Methyl (+)-(2S)-amino-3-[2(1H)-quinolinon-4-yl]propionate

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

Methyl (+)-(2S)-amino-3-[2(1H)-quinolinon-4-yl]propionate
SpectraBase Compound ID Bxb0AI6GETX
InChI InChI=1S/C13H14N2O3/c1-18-13(17)10(14)6-8-7-12(16)15-11-5-3-2-4-9(8)11/h2-5,7,10H,6,14H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey BORSKPPIICQJTH-JTQLQIEISA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IyPgiTuUyPg
Name Methyl (+)-(2S)-amino-3-[2(1H)-quinolinon-4-yl]propionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.100442316 u
Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-18-13(17)10(14)6-8-7-12(16)15-11-5-3-2-4-9(8)11/h2-5,7,10H,6,14H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey BORSKPPIICQJTH-JTQLQIEISA-N
Molecular Weight 246.266 g/mol
SMILES C1(=CC(=O)NC2=C1C=CC=C2)C[C@@](C(=O)OC)(N)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814108