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1(4H)-Quinazolineacetic acid, 4-oxo-2-phenyl-, ethyl ester

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

1(4H)-Quinazolineacetic acid, 4-oxo-2-phenyl-, ethyl ester
SpectraBase Compound ID EcUqAkyHZoP
InChI InChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-15-11-7-6-10-14(15)18(22)19-17(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKey QIKXSADBVXIACF-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FYSL6l9A1kg
Name 1(4H)-Quinazolineacetic acid, 4-oxo-2-phenyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.116092380 u
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-15-11-7-6-10-14(15)18(22)19-17(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKey QIKXSADBVXIACF-UHFFFAOYSA-N
Molecular Weight 308.337 g/mol
SMILES C1(=NC(C2=C(N1CC(=O)OCC)C=CC=C2)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822325