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6-Amino-3-methyl-4-{2-[(4-methylbenzyl)oxy]phenyl}-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
SpectraBase Compound ID 1Ac0smR7f3h
InChI InChI=1S/C22H20N4O2/c1-13-7-9-15(10-8-13)12-27-18-6-4-3-5-16(18)20-17(11-23)21(24)28-22-19(20)14(2)25-26-22/h3-10,20H,12,24H2,1-2H3,(H,25,26)
InChIKey REZQDPJUZQKSIR-UHFFFAOYSA-N
Mol Weight 372.43 g/mol
Molecular Formula C22H20N4O2
Exact Mass 372.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ByeXl4YolU
Name 6-Amino-3-methyl-4-{2-[(4-methylbenzyl)oxy]phenyl}-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 372.158625898 u
Formula C22H20N4O2
InChI InChI=1S/C22H20N4O2/c1-13-7-9-15(10-8-13)12-27-18-6-4-3-5-16(18)20-17(11-23)21(24)28-22-19(20)14(2)25-26-22/h3-10,20H,12,24H2,1-2H3,(H,25,26)
InChIKey REZQDPJUZQKSIR-UHFFFAOYSA-N
Molecular Weight 372.428 g/mol
SMILES NC1=C(C(C2=C(O1)NN=C2C)C1=C(OCC=2C=CC(=CC2)C)C=CC=C1)C#N