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N-Isoxazole-5-carbonyl-1,3-diphenyl-5-amino-1H-pyrazole

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

N-Isoxazole-5-carbonyl-1,3-diphenyl-5-amino-1H-pyrazole
SpectraBase Compound ID 3Ob6po0Aish
InChI InChI=1S/C19H14N4O2/c24-19(17-11-12-20-25-17)21-18-13-16(14-7-3-1-4-8-14)22-23(18)15-9-5-2-6-10-15/h1-13H,(H,21,24)
InChIKey CMESEFCPJLHIGT-UHFFFAOYSA-N
Mol Weight 330.35 g/mol
Molecular Formula C19H14N4O2
Exact Mass 330.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Lw7Uf7e11f
Name N-Isoxazole-5-carbonyl-1,3-diphenyl-5-amino-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 330.111675705 u
Formula C19H14N4O2
InChI InChI=1S/C19H14N4O2/c24-19(17-11-12-20-25-17)21-18-13-16(14-7-3-1-4-8-14)22-23(18)15-9-5-2-6-10-15/h1-13H,(H,21,24)
InChIKey CMESEFCPJLHIGT-UHFFFAOYSA-N
Molecular Weight 330.347 g/mol
SMILES C=1(N(N=C(C1)C=1C=CC=CC1)C1=CC=CC=C1)NC(C=1ON=CC1)=O