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9-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

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9-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
SpectraBase Compound ID JOQHmlwmWtF
InChI InChI=1S/C32H32ClN3O2/c1-31(2)14-23-28(25(37)16-31)27(22-18-34-35-30(22)19-10-12-20(33)13-11-19)29-24(15-32(3,4)17-26(29)38)36(23)21-8-6-5-7-9-21/h5-13,18,27H,14-17H2,1-4H3,(H,34,35)
InChIKey XXYAIGHBHVDXQB-UHFFFAOYSA-N
Mol Weight 526.1 g/mol
Molecular Formula C32H32ClN3O2
Exact Mass 525.218305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGaDBzDYMuB
Name 9-[3-(4-Chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.218304980 u
Formula C32H32ClN3O2
InChI InChI=1S/C32H32ClN3O2/c1-31(2)14-23-28(25(37)16-31)27(22-18-34-35-30(22)19-10-12-20(33)13-11-19)29-24(15-32(3,4)17-26(29)38)36(23)21-8-6-5-7-9-21/h5-13,18,27H,14-17H2,1-4H3,(H,34,35)
InChIKey XXYAIGHBHVDXQB-UHFFFAOYSA-N
Molecular Weight 526.080 g/mol
SMILES N1N=C(C(=C1)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(CC(C)(C)C2)=O)C1=CC=CC=C1)C1=CC=C(C=C1)Cl