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5-(4-bromophenyl)-3-(4-tert-butylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione

View entire compound with spectra: 2 NMR

5-(4-bromophenyl)-3-(4-tert-butylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID Lt8FEtO3Wkt
InChI InChI=1S/C27H25BrN2O3/c1-27(2,3)18-11-9-17(10-12-18)23-22-24(33-30(23)21-7-5-4-6-8-21)26(32)29(25(22)31)20-15-13-19(28)14-16-20/h4-16,22-24H,1-3H3
InChIKey POKKWNDGYCCNNY-UHFFFAOYSA-N
Mol Weight 505.41 g/mol
Molecular Formula C27H25BrN2O3
Exact Mass 504.104856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AChdIr3uDQ3
Name 5-(4-Bromophenyl)-3-(4-tert-butylphenyl)-2-phenyldihydro-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 504.104855670 u
Formula C27H25BrN2O3
InChI InChI=1S/C27H25BrN2O3/c1-27(2,3)18-11-9-17(10-12-18)23-22-24(33-30(23)21-7-5-4-6-8-21)26(32)29(25(22)31)20-15-13-19(28)14-16-20/h4-16,22-24H,1-3H3
InChIKey POKKWNDGYCCNNY-UHFFFAOYSA-N
Molecular Weight 505.412 g/mol
SMILES C12C(C(=O)N(C2=O)C=2C=CC(=CC2)Br)C(C=2C=CC(C(C)(C)C)=CC2)N(O1)C1=CC=CC=C1