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2-(4-Methoxyphenyl)-4H,5H,6H,7H,8H-[1,2,4]triazolo[3,2-B]quinazolin-9-one

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2-(4-Methoxyphenyl)-4H,5H,6H,7H,8H-[1,2,4]triazolo[3,2-B]quinazolin-9-one
SpectraBase Compound ID Anj7MbkSoaH
InChI InChI=1S/C16H16N4O2/c1-22-11-8-6-10(7-9-11)14-18-16-17-13-5-3-2-4-12(13)15(21)20(16)19-14/h6-9H,2-5H2,1H3,(H,17,18,19)
InChIKey VQZALXSLLGUMCS-UHFFFAOYSA-N
Mol Weight 296.33 g/mol
Molecular Formula C16H16N4O2
Exact Mass 296.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aSkVcSSAZ8
Name 2-(4-Methoxyphenyl)-4H,5H,6H,7H,8H-[1,2,4]triazolo[3,2-B]quinazolin-9-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.127325769 u
Formula C16H16N4O2
InChI InChI=1S/C16H16N4O2/c1-22-11-8-6-10(7-9-11)14-18-16-17-13-5-3-2-4-12(13)15(21)20(16)19-14/h6-9H,2-5H2,1H3,(H,17,18,19)
InChIKey VQZALXSLLGUMCS-UHFFFAOYSA-N
Molecular Weight 296.330 g/mol
SMILES COC=1C=CC(C=2N=C3N(C(C4=C(N3)CCCC4)=O)N2)=CC1