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2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 5-(4-ethoxyphenyl)dihydro-2-phenyl-3-(2-thienyl)-
SpectraBase Compound ID JmXYu0OYLrD
InChI InChI=1S/C23H20N2O4S/c1-2-28-17-12-10-15(11-13-17)24-22(26)19-20(18-9-6-14-30-18)25(29-21(19)23(24)27)16-7-4-3-5-8-16/h3-14,19-21H,2H2,1H3
InChIKey ZPZGLGQNLNPWBX-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C23H20N2O4S
Exact Mass 420.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JslYBBXsBXx
Name 2H-Pyrrolo[3,4-D]isoxazole-4,6(3H,5H)-dione, 5-(4-ethoxyphenyl)dihydro-2-phenyl-3-(2-thienyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.114378302 u
Formula C23H20N2O4S
InChI InChI=1S/C23H20N2O4S/c1-2-28-17-12-10-15(11-13-17)24-22(26)19-20(18-9-6-14-30-18)25(29-21(19)23(24)27)16-7-4-3-5-8-16/h3-14,19-21H,2H2,1H3
InChIKey ZPZGLGQNLNPWBX-UHFFFAOYSA-N
Molecular Weight 420.483 g/mol
SMILES C12C(C(=O)N(C2=O)C=2C=CC(=CC2)OCC)ON(C1C=1SC=CC1)C1=CC=CC=C1