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4-[5-(3-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]benzonitrile
SpectraBase Compound ID 490X1GiBGkR
InChI InChI=1S/C25H19N3O4/c1-31-20-9-5-8-19(14-20)27-24(29)21-22(17-12-10-16(15-26)11-13-17)28(32-23(21)25(27)30)18-6-3-2-4-7-18/h2-14,21-23H,1H3
InChIKey HKOMONGSAWTIIM-UHFFFAOYSA-N
Mol Weight 425.44 g/mol
Molecular Formula C25H19N3O4
Exact Mass 425.137556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EICiIxPAyZO
Name 4-[5-(3-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]benzonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H19N3O4/c1-31-20-9-5-8-19(14-20)27-24(29)21-22(17-12-10-16(15-26)11-13-17)28(32-23(21)25(27)30)18-6-3-2-4-7-18/h2-14,21-23H,1H3
InChIKey HKOMONGSAWTIIM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28673
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D87007; Labnumber: VLM_NM-3030; SBI_ID: SBI-028677
Temperature 303 °C