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

View entire compound with spectra: 2 NMR

3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID HFaVmrErULS
InChI InChI=1S/C27H25FN2O3/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 FEXTXOKTCVPOFJ-UHFFFAOYSA-N
Mol Weight 444.51 g/mol
Molecular Formula C27H25FN2O3
Exact Mass 444.184921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3s1skAP0E21
Name 3-(4-Tert-butylphenyl)-5-(4-fluorophenyl)-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 444.184920833 u
Formula C27H25FN2O3
InChI InChI=1S/C27H25FN2O3/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 FEXTXOKTCVPOFJ-UHFFFAOYSA-N
Molecular Weight 444.506 g/mol
SMILES C12C(C(=O)N(C2=O)C=2C=CC(=CC2)F)C(C=2C=CC(C(C)(C)C)=CC2)N(O1)C1=CC=CC=C1