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6-Amino-4-(2,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
SpectraBase Compound ID BruteThvbDA
InChI InChI=1S/C23H22N4O3/c1-13-5-7-15(8-6-13)27-23-20(14(2)26-27)21(18(12-24)22(25)30-23)17-10-9-16(28-3)11-19(17)29-4/h5-11,21H,25H2,1-4H3
InChIKey USKPHCWTUSRAPN-UHFFFAOYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C23H22N4O3
Exact Mass 402.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eynNJX2sPK
Name 6-Amino-4-(2,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.169190581 u
Formula C23H22N4O3
InChI InChI=1S/C23H22N4O3/c1-13-5-7-15(8-6-13)27-23-20(14(2)26-27)21(18(12-24)22(25)30-23)17-10-9-16(28-3)11-19(17)29-4/h5-11,21H,25H2,1-4H3
InChIKey USKPHCWTUSRAPN-UHFFFAOYSA-N
Molecular Weight 402.454 g/mol
SMILES NC1=C(C#N)C(C2=C(N(N=C2C)C=2C=CC(=CC2)C)O1)C1=C(C=C(C=C1)OC)OC