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

View entire compound with spectra: 2 NMR

5-(3-bromophenyl)-3-(4-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID 9cYwlDjMJcy
InChI InChI=1S/C23H17BrN2O4/c24-15-5-4-8-17(13-15)25-22(28)19-20(14-9-11-18(27)12-10-14)26(30-21(19)23(25)29)16-6-2-1-3-7-16/h1-13,19-21,27H
InChIKey JVVAFQXYEQIXAM-UHFFFAOYSA-N
Mol Weight 465.3 g/mol
Molecular Formula C23H17BrN2O4
Exact Mass 464.03717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwvGyBsYsKZ
Name 5-(3-Bromophenyl)-3-(4-hydroxyphenyl)-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 464.037170031 u
Formula C23H17BrN2O4
InChI InChI=1S/C23H17BrN2O4/c24-15-5-4-8-17(13-15)25-22(28)19-20(14-9-11-18(27)12-10-14)26(30-21(19)23(25)29)16-6-2-1-3-7-16/h1-13,19-21,27H
InChIKey JVVAFQXYEQIXAM-UHFFFAOYSA-N
Molecular Weight 465.303 g/mol
SMILES OC=1C=CC(C2N(C=3C=CC=CC3)OC3C(N(C(C23)=O)C2=CC(Br)=CC=C2)=O)=CC1