For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]benzonitrile
SpectraBase Compound ID KN5vGvox0cR
InChI InChI=1S/C25H19N3O3/c1-16-7-13-19(14-8-16)27-24(29)21-22(18-11-9-17(15-26)10-12-18)28(31-23(21)25(27)30)20-5-3-2-4-6-20/h2-14,21-23H,1H3
InChIKey FGUGHJWIDXEWAP-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C25H19N3O3
Exact Mass 409.142641 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BSgZK4qjLJt
Name 4-[5-(4-methylphenyl)-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/C25H19N3O3/c1-16-7-13-19(14-8-16)27-24(29)21-22(18-11-9-17(15-26)10-12-18)28(31-23(21)25(27)30)20-5-3-2-4-6-20/h2-14,21-23H,1H3
InChIKey FGUGHJWIDXEWAP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28667
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: D86997; Labnumber: VLM_NM-3021; SBI_ID: SBI-028671
Temperature 303 °C