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ethanone, 1-[1-[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-3-pyridazinyl]-5-methyl-1H-pyrazol-4-yl]-
SpectraBase Compound ID AJNmC7Buv5x
InChI InChI=1S/C16H16N6O2/c1-9-13(11(3)23)7-17-21(9)15-5-6-16(20-19-15)22-10(2)14(8-18-22)12(4)24/h5-8H,1-4H3
InChIKey PNNLEKJSVGNSEC-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C16H16N6O2
Exact Mass 324.133474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANltw3mq1ej
Name Ethanone, 1-[1-[6-(4-acetyl-5-methyl-1H-pyrazol-1-yl)-3-pyridazinyl]-5-methyl-1H-pyrazol-4-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.133473777 u
Formula C16H16N6O2
InChI InChI=1S/C16H16N6O2/c1-9-13(11(3)23)7-17-21(9)15-5-6-16(20-19-15)22-10(2)14(8-18-22)12(4)24/h5-8H,1-4H3
InChIKey PNNLEKJSVGNSEC-UHFFFAOYSA-N
Molecular Weight 324.344 g/mol
SMILES CC(C1=C(N(C=2C=CC(N3C(=C(C(=O)C)C=N3)C)=NN2)N=C1)C)=O