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3-Amino-6-(4-chlorophenyl)-2-phenyl-4-pyrano[4,3-c]pyrazolone

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3-Amino-6-(4-chlorophenyl)-2-phenyl-4-pyrano[4,3-c]pyrazolone
SpectraBase Compound ID tjxZDWZHj1
InChI InChI=1S/C18H12ClN3O2/c19-12-8-6-11(7-9-12)15-10-14-16(18(23)24-15)17(20)22(21-14)13-4-2-1-3-5-13/h1-10H,20H2
InChIKey DKKVOBMATSHKLW-UHFFFAOYSA-N
Mol Weight 337.77 g/mol
Molecular Formula C18H12ClN3O2
Exact Mass 337.061804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CDxZUlhDmT
Name 3-Amino-6-(4-chlorophenyl)-2-phenyl-4-pyrano[4,3-C]pyrazolone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.061804336 u
Formula C18H12ClN3O2
InChI InChI=1S/C18H12ClN3O2/c19-12-8-6-11(7-9-12)15-10-14-16(18(23)24-15)17(20)22(21-14)13-4-2-1-3-5-13/h1-10H,20H2
InChIKey DKKVOBMATSHKLW-UHFFFAOYSA-N
Molecular Weight 337.766 g/mol
SMILES C12=NN(C(=C2C(OC(=C1)C=1C=CC(=CC1)Cl)=O)N)C=1C=CC=CC1