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4H-Indazol-4-one, 1-(4,6-dimethyl-2-pyrimidinyl)-1,5,6,7-tetrahydro-6-(3,4,5-trimethoxyphenyl)-
SpectraBase Compound ID 2sVwwQFbixI
InChI InChI=1S/C22H24N4O4/c1-12-6-13(2)25-22(24-12)26-17-7-14(8-18(27)16(17)11-23-26)15-9-19(28-3)21(30-5)20(10-15)29-4/h6,9-11,14H,7-8H2,1-5H3
InChIKey ACTDZTUGWAZERR-UHFFFAOYSA-N
Mol Weight 408.46 g/mol
Molecular Formula C22H24N4O4
Exact Mass 408.179755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUx3BNAKR0q
Name 4H-Indazol-4-one, 1-(4,6-dimethyl-2-pyrimidinyl)-1,5,6,7-tetrahydro-6-(3,4,5-trimethoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.179755265 u
Formula C22H24N4O4
InChI InChI=1S/C22H24N4O4/c1-12-6-13(2)25-22(24-12)26-17-7-14(8-18(27)16(17)11-23-26)15-9-19(28-3)21(30-5)20(10-15)29-4/h6,9-11,14H,7-8H2,1-5H3
InChIKey ACTDZTUGWAZERR-UHFFFAOYSA-N
Molecular Weight 408.458 g/mol
SMILES COC=1C=C(C2CC=3N(C4=NC(C)=CC(=N4)C)N=CC3C(=O)C2)C=C(C1OC)OC