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(4-oxo-4H-Quinazolin-3-yl)-acetic acid, methyl ester

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

(4-oxo-4H-Quinazolin-3-yl)-acetic acid, methyl ester
SpectraBase Compound ID E7CrodCDOOm
InChI InChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3
InChIKey QKUMWDDGSYLSBF-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C11H10N2O3
Exact Mass 218.069142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BUI6CkxxD16
Name (4-oxo-4H-Quinazolin-3-yl)-acetic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.069142187 u
Formula C11H10N2O3
InChI InChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3
InChIKey QKUMWDDGSYLSBF-UHFFFAOYSA-N
Molecular Weight 218.212 g/mol
SMILES C1(N(C=NC2=CC=CC=C12)CC(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945298