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Isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-(4-acetylaminophenyl)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-(4-acetylaminophenyl)-
SpectraBase Compound ID tN3mTgoRv0
InChI InChI=1S/C19H16ClN3O3/c1-11-17(18(23-26-11)15-5-3-4-6-16(15)20)19(25)22-14-9-7-13(8-10-14)21-12(2)24/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKey JSZQNYZZKAECJJ-UHFFFAOYSA-N
Mol Weight 369.81 g/mol
Molecular Formula C19H16ClN3O3
Exact Mass 369.088019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qavjnf6b8g
Name Isoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-N-(4-acetylaminophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.088019084 u
Formula C19H16ClN3O3
InChI InChI=1S/C19H16ClN3O3/c1-11-17(18(23-26-11)15-5-3-4-6-16(15)20)19(25)22-14-9-7-13(8-10-14)21-12(2)24/h3-10H,1-2H3,(H,21,24)(H,22,25)
InChIKey JSZQNYZZKAECJJ-UHFFFAOYSA-N
Molecular Weight 369.808 g/mol
SMILES C=1(C(=NOC1C)C=1C(Cl)=CC=CC1)C(NC1=CC=C(NC(=O)C)C=C1)=O