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3-(4'-Nitrophenyl)-4-(2""""-tetrahydropyrimidinyl)-5-phenylisoxazole

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

3-(4'-Nitrophenyl)-4-(2""""-tetrahydropyrimidinyl)-5-phenylisoxazole
SpectraBase Compound ID IbPRpGu3F31
InChI InChI=1S/C19H16N4O3/c24-23(25)15-9-7-13(8-10-15)17-16(19-20-11-4-12-21-19)18(26-22-17)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H,20,21)
InChIKey SVYORHKILTYJQG-UHFFFAOYSA-N
Mol Weight 348.36 g/mol
Molecular Formula C19H16N4O3
Exact Mass 348.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mj4dsImcrD
Name 3-(4'-Nitrophenyl)-4-(2""""-tetrahydropyrimidinyl)-5-phenylisoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.122240388 u
Formula C19H16N4O3
InChI InChI=1S/C19H16N4O3/c24-23(25)15-9-7-13(8-10-15)17-16(19-20-11-4-12-21-19)18(26-22-17)14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H,20,21)
InChIKey SVYORHKILTYJQG-UHFFFAOYSA-N
Molecular Weight 348.362 g/mol
SMILES C1(=C(ON=C1C1=CC=C(N(=O)=O)C=C1)C1=CC=CC=C1)C1=NCCCN1