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2-Methyl-3-[4-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-3H-quinazolin-4-one
SpectraBase Compound ID 1lSxXWiETM7
InChI InChI=1S/C17H12F4N2O2/c1-10-22-14-5-3-2-4-13(14)15(24)23(10)11-6-8-12(9-7-11)25-17(20,21)16(18)19/h2-9,16H,1H3
InChIKey KCNCQEUUAOXEFY-UHFFFAOYSA-N
Mol Weight 352.29 g/mol
Molecular Formula C17H12F4N2O2
Exact Mass 352.08349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14yUBwSmgP
Name 2-Methyl-3-[4-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-3H-quinazolin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.083490284 u
Formula C17H12F4N2O2
InChI InChI=1S/C17H12F4N2O2/c1-10-22-14-5-3-2-4-13(14)15(24)23(10)11-6-8-12(9-7-11)25-17(20,21)16(18)19/h2-9,16H,1H3
InChIKey KCNCQEUUAOXEFY-UHFFFAOYSA-N
Molecular Weight 352.289 g/mol
SMILES C1=CC2=C(C(N(C(=N2)C)C2=CC=C(OC(C(F)F)(F)F)C=C2)=O)C=C1