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3-(4-ethoxyphenyl)-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-ethoxyphenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID BompCOkGrm0
InChI InChI=1S/C25H21FN2O4/c1-2-31-20-14-8-16(9-15-20)22-21-23(32-28(22)19-6-4-3-5-7-19)25(30)27(24(21)29)18-12-10-17(26)11-13-18/h3-15,21-23H,2H2,1H3
InChIKey HQSPYXVGXOZEBV-UHFFFAOYSA-N
Mol Weight 432.45 g/mol
Molecular Formula C25H21FN2O4
Exact Mass 432.148535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bqBw0Qkg3c
Name 3-(4-Ethoxyphenyl)-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 432.148535323 u
Formula C25H21FN2O4
InChI InChI=1S/C25H21FN2O4/c1-2-31-20-14-8-16(9-15-20)22-21-23(32-28(22)19-6-4-3-5-7-19)25(30)27(24(21)29)18-12-10-17(26)11-13-18/h3-15,21-23H,2H2,1H3
InChIKey HQSPYXVGXOZEBV-UHFFFAOYSA-N
Molecular Weight 432.451 g/mol
SMILES C12C(C(=O)N(C2=O)C2=CC=C(C=C2)F)C(C=2C=CC(=CC2)OCC)N(O1)C1=CC=CC=C1