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4-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]benzoic acid
SpectraBase Compound ID B4V1I3L0a7Z
InChI InChI=1S/C25H20N2O5/c1-15-7-13-18(14-8-15)26-23(28)20-21(16-9-11-17(12-10-16)25(30)31)27(32-22(20)24(26)29)19-5-3-2-4-6-19/h2-14,20-22H,1H3,(H,30,31)
InChIKey OQASDXQACGOCDP-UHFFFAOYSA-N
Mol Weight 428.44 g/mol
Molecular Formula C25H20N2O5
Exact Mass 428.137222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQsBRfQAazJ
Name 4-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]benzoic acid
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/C25H20N2O5/c1-15-7-13-18(14-8-15)26-23(28)20-21(16-9-11-17(12-10-16)25(30)31)27(32-22(20)24(26)29)19-5-3-2-4-6-19/h2-14,20-22H,1H3,(H,30,31)
InChIKey OQASDXQACGOCDP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28684
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: D87032; Labnumber: VLM_NM-3051; SBI_ID: SBI-028688
Temperature 303 °C