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5-(4-methylphenyl)-3-[4-(octyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione

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5-(4-methylphenyl)-3-[4-(octyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID KOoscxr7Zoc
InChI InChI=1S/C32H36N2O4/c1-3-4-5-6-7-11-22-37-27-20-16-24(17-21-27)29-28-30(38-34(29)26-12-9-8-10-13-26)32(36)33(31(28)35)25-18-14-23(2)15-19-25/h8-10,12-21,28-30H,3-7,11,22H2,1-2H3
InChIKey CEDHVXMBSQRJTQ-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C32H36N2O4
Exact Mass 512.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nhA2x7sorK
Name 5-(4-Methylphenyl)-3-[4-(octyloxy)phenyl]-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 512.267507643 u
Formula C32H36N2O4
InChI InChI=1S/C32H36N2O4/c1-3-4-5-6-7-11-22-37-27-20-16-24(17-21-27)29-28-30(38-34(29)26-12-9-8-10-13-26)32(36)33(31(28)35)25-18-14-23(2)15-19-25/h8-10,12-21,28-30H,3-7,11,22H2,1-2H3
InChIKey CEDHVXMBSQRJTQ-UHFFFAOYSA-N
Molecular Weight 512.650 g/mol
SMILES C12C(C(=O)N(C2=O)C2=CC=C(C=C2)C)C(C=2C=CC(=CC2)OCCCCCCCC)N(O1)C1=CC=CC=C1