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2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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2-amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 8yUVFiqU9xN
InChI InChI=1S/C26H20Cl2N4O2/c27-17-10-9-16(20(28)11-17)13-32-14-19(25(31-32)15-5-2-1-3-6-15)23-18(12-29)26(30)34-22-8-4-7-21(33)24(22)23/h1-3,5-6,9-11,14,23H,4,7-8,13,30H2
InChIKey KUCOKFVSMSAZIU-UHFFFAOYSA-N
Mol Weight 491.38 g/mol
Molecular Formula C26H20Cl2N4O2
Exact Mass 490.096331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26j5QKObknQ
Name 2-Amino-4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.096331298 u
Formula C26H20Cl2N4O2
InChI InChI=1S/C26H20Cl2N4O2/c27-17-10-9-16(20(28)11-17)13-32-14-19(25(31-32)15-5-2-1-3-6-15)23-18(12-29)26(30)34-22-8-4-7-21(33)24(22)23/h1-3,5-6,9-11,14,23H,4,7-8,13,30H2
InChIKey KUCOKFVSMSAZIU-UHFFFAOYSA-N
Molecular Weight 491.378 g/mol
SMILES NC1=C(C(C=2C(=NN(C2)CC=2C(=CC(=CC2)Cl)Cl)C2=CC=CC=C2)C2=C(O1)CCCC2=O)C#N