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6,7-Difluoro-2-methylquinazolin-4(3H)-one

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

6,7-Difluoro-2-methylquinazolin-4(3H)-one
SpectraBase Compound ID 7AZeKhMAnfV
InChI InChI=1S/C9H6F2N2O/c1-4-12-8-3-7(11)6(10)2-5(8)9(14)13-4/h2-3H,1H3,(H,12,13,14)
InChIKey XLPYIQYFUKBNRO-UHFFFAOYSA-N
Mol Weight 196.16 g/mol
Molecular Formula C9H6F2N2O
Exact Mass 196.044819 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9f7OIirluaV
Name 6,7-Difluoro-2-methylquinazolin-4(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.044819146 u
Formula C9H6F2N2O
InChI InChI=1S/C9H6F2N2O/c1-4-12-8-3-7(11)6(10)2-5(8)9(14)13-4/h2-3H,1H3,(H,12,13,14)
InChIKey XLPYIQYFUKBNRO-UHFFFAOYSA-N
Molecular Weight 196.157 g/mol
SMILES C1=2C(NC(=NC2C=C(C(=C1)F)F)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863238