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benzamide, 2-[(3,5-dimethyl-4-isoxazolyl)methoxy]-N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]-
SpectraBase Compound ID BiJcnpkfgEA
InChI InChI=1S/C23H22N4O3/c1-15-12-13-27(25-15)19-10-8-18(9-11-19)24-23(28)20-6-4-5-7-22(20)29-14-21-16(2)26-30-17(21)3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKey CRWFOBRRFAETEZ-UHFFFAOYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C23H22N4O3
Exact Mass 402.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Kq1Fpwd0aV
Name Benzamide, 2-[(3,5-dimethyl-4-isoxazolyl)methoxy]-N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.169190581 u
Formula C23H22N4O3
InChI InChI=1S/C23H22N4O3/c1-15-12-13-27(25-15)19-10-8-18(9-11-19)24-23(28)20-6-4-5-7-22(20)29-14-21-16(2)26-30-17(21)3/h4-13H,14H2,1-3H3,(H,24,28)
InChIKey CRWFOBRRFAETEZ-UHFFFAOYSA-N
Molecular Weight 402.454 g/mol
SMILES N(C1=CC=C(N2C=CC(=N2)C)C=C1)C(C1=C(OCC2=C(ON=C2C)C)C=CC=C1)=O