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Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,4-dihydro-3-methyl-
SpectraBase Compound ID 6VaEJ8mCiwl
InChI InChI=1S/C21H16Cl2N4O2/c1-11-18-19(14(9-24)20(25)29-21(18)27-26-11)12-4-2-5-13(8-12)28-10-15-16(22)6-3-7-17(15)23/h2-8,19H,10,25H2,1H3,(H,26,27)
InChIKey OCNBSJGIOCZIJY-UHFFFAOYSA-N
Mol Weight 427.29 g/mol
Molecular Formula C21H16Cl2N4O2
Exact Mass 426.065031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqtzVY1vQeo
Name Pyrano[2,3-C]pyrazole-5-carbonitrile, 6-amino-4-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-1,4-dihydro-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.065031169 u
Formula C21H16Cl2N4O2
InChI InChI=1S/C21H16Cl2N4O2/c1-11-18-19(14(9-24)20(25)29-21(18)27-26-11)12-4-2-5-13(8-12)28-10-15-16(22)6-3-7-17(15)23/h2-8,19H,10,25H2,1H3,(H,26,27)
InChIKey OCNBSJGIOCZIJY-UHFFFAOYSA-N
Molecular Weight 427.291 g/mol
SMILES NC1=C(C(C2=C(O1)NN=C2C)C1=CC(OCC2=C(Cl)C=CC=C2Cl)=CC=C1)C#N