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5-(4-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione

View entire compound with spectra: 2 NMR

5-(4-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
SpectraBase Compound ID 5BKlbv86tyK
InChI InChI=1S/C27H25FN2O5/c1-3-15-34-21-14-9-17(16-22(21)33-2)24-23-25(35-30(24)20-7-5-4-6-8-20)27(32)29(26(23)31)19-12-10-18(28)11-13-19/h4-14,16,23-25H,3,15H2,1-2H3
InChIKey ROGZTUDBUVLFII-UHFFFAOYSA-N
Mol Weight 476.5 g/mol
Molecular Formula C27H25FN2O5
Exact Mass 476.17475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aYo2ATDQ7e
Name 5-(4-Fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)-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 476.174750071 u
Formula C27H25FN2O5
InChI InChI=1S/C27H25FN2O5/c1-3-15-34-21-14-9-17(16-22(21)33-2)24-23-25(35-30(24)20-7-5-4-6-8-20)27(32)29(26(23)31)19-12-10-18(28)11-13-19/h4-14,16,23-25H,3,15H2,1-2H3
InChIKey ROGZTUDBUVLFII-UHFFFAOYSA-N
Molecular Weight 476.504 g/mol
SMILES C12C(C(=O)N(C2=O)C=2C=CC(=CC2)F)C(C=2C=C(OC)C(=CC2)OCCC)N(O1)C=1C=CC=CC1