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2-Methyl-5-(4-oxo-3,4-dihydroquinazolin-2-yl)tetrahydrofuran-3-carboxylic acid ethyl ester

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

2-Methyl-5-(4-oxo-3,4-dihydroquinazolin-2-yl)tetrahydrofuran-3-carboxylic acid ethyl ester
SpectraBase Compound ID DghQFnTGrGX
InChI InChI=1S/C16H16N2O4/c1-3-21-16(20)11-8-13(22-9(11)2)14-17-12-7-5-4-6-10(12)15(19)18-14/h4-7,13H,3,8H2,1-2H3,(H,17,18,19)
InChIKey KDJIVFXPUIHYMA-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CGmwZ5GsWs4
Name 2-Methyl-5-(4-oxo-3,4-dihydroquinazolin-2-yl)tetrahydrofuran-3-carboxylic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.111006999 u
Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c1-3-21-16(20)11-8-13(22-9(11)2)14-17-12-7-5-4-6-10(12)15(19)18-14/h4-7,13H,3,8H2,1-2H3,(H,17,18,19)
InChIKey KDJIVFXPUIHYMA-UHFFFAOYSA-N
SMILES C1(=C(OC(C=2NC(=O)C3=C(N2)C=CC=C3)C1)C)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897981