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1-[4-benzoyl-1-(4-nitrophenyl)-1H-pyrazol-3-yl]-ethanone

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

1-[4-benzoyl-1-(4-nitrophenyl)-1H-pyrazol-3-yl]-ethanone
SpectraBase Compound ID 2rdm6DUDmCL
InChI InChI=1S/C18H13N3O4/c1-12(22)17-16(18(23)13-5-3-2-4-6-13)11-20(19-17)14-7-9-15(10-8-14)21(24)25/h2-11H,1H3
InChIKey HCFFMAVQEHYRBM-UHFFFAOYSA-N
Mol Weight 335.32 g/mol
Molecular Formula C18H13N3O4
Exact Mass 335.090606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvmIkD4yEP0
Name 1-[4-Benzoyl-1-(4-nitrophenyl)-1H-pyrazol-3-yl]-ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.090605907 u
Formula C18H13N3O4
InChI InChI=1S/C18H13N3O4/c1-12(22)17-16(18(23)13-5-3-2-4-6-13)11-20(19-17)14-7-9-15(10-8-14)21(24)25/h2-11H,1H3
InChIKey HCFFMAVQEHYRBM-UHFFFAOYSA-N
Molecular Weight 335.319 g/mol
SMILES C=1(C(=NN(C1)C1=CC=C(N(=O)=O)C=C1)C(=O)C)C(=O)C=1C=CC=CC1