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2-(4-Chlorophenyl)-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone

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

2-(4-Chlorophenyl)-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone
SpectraBase Compound ID GmnbTSC8xDd
InChI InChI=1S/C18H12ClN3O2/c1-11-10-16(24-21-11)22-17(12-6-8-13(19)9-7-12)20-15-5-3-2-4-14(15)18(22)23/h2-10H,1H3
InChIKey WDXFLBLHKQYIIP-UHFFFAOYSA-N
Mol Weight 337.77 g/mol
Molecular Formula C18H12ClN3O2
Exact Mass 337.061804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8S5e9GIQeBM
Name 2-(4-Chlorophenyl)-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.061804336 u
Formula C18H12ClN3O2
InChI InChI=1S/C18H12ClN3O2/c1-11-10-16(24-21-11)22-17(12-6-8-13(19)9-7-12)20-15-5-3-2-4-14(15)18(22)23/h2-10H,1H3
InChIKey WDXFLBLHKQYIIP-UHFFFAOYSA-N
Molecular Weight 337.766 g/mol
SMILES C1=CC=C2C(=C1)C(N(C(=N2)C=1C=CC(=CC1)Cl)C1=CC(=NO1)C)=O