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5-(3,4-dichlorophenyl)-2,3-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione

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5-(3,4-dichlorophenyl)-2,3-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID KXvHkYMC9yB
InChI InChI=1S/C23H16Cl2N2O3/c24-17-12-11-16(13-18(17)25)26-22(28)19-20(14-7-3-1-4-8-14)27(30-21(19)23(26)29)15-9-5-2-6-10-15/h1-13,19-21H
InChIKey IBKYNEFOMSOAHD-UHFFFAOYSA-N
Mol Weight 439.3 g/mol
Molecular Formula C23H16Cl2N2O3
Exact Mass 438.053798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jG77ZJBh9B
Name 5-(3,4-Dichlorophenyl)-2,3-diphenyldihydro-2H-pyrrolo[3,4-D]isoxazole-4,6(3H,5H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.053797780 u
Formula C23H16Cl2N2O3
InChI InChI=1S/C23H16Cl2N2O3/c24-17-12-11-16(13-18(17)25)26-22(28)19-20(14-7-3-1-4-8-14)27(30-21(19)23(26)29)15-9-5-2-6-10-15/h1-13,19-21H
InChIKey IBKYNEFOMSOAHD-UHFFFAOYSA-N
Molecular Weight 439.298 g/mol
SMILES C=1C=CC(N2C(C3C(N(C(C3O2)=O)C2=CC(Cl)=C(C=C2)Cl)=O)C2=CC=CC=C2)=CC1