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5-(4-bromophenyl)-3-(2-furanyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
SpectraBase Compound ID LIHZr0xYw0D
InChI InChI=1S/C21H15BrN2O4/c22-13-8-10-14(11-9-13)23-20(25)17-18(16-7-4-12-27-16)24(28-19(17)21(23)26)15-5-2-1-3-6-15/h1-12,17-19H
InChIKey MZONRPRPYPAYIM-UHFFFAOYSA-N
Mol Weight 439.27 g/mol
Molecular Formula C21H15BrN2O4
Exact Mass 438.02152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1844hIYqOAC
Name 5-(4-Bromophenyl)-3-(2-furanyl)-2-phenyl-3A,6A-dihydro-3H-pyrrolo[3,4-D]isoxazole-4,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.021519967 u
Formula C21H15BrN2O4
InChI InChI=1S/C21H15BrN2O4/c22-13-8-10-14(11-9-13)23-20(25)17-18(16-7-4-12-27-16)24(28-19(17)21(23)26)15-5-2-1-3-6-15/h1-12,17-19H
InChIKey MZONRPRPYPAYIM-UHFFFAOYSA-N
Molecular Weight 439.265 g/mol
SMILES C12C(C(=O)N(C2=O)C2=CC=C(C=C2)Br)ON(C1C=1OC=CC1)C1=CC=CC=C1