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1,3-dioxo-2-[3-({4-[(1E)-3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-N-{4-[(1E)-3-oxo-3-phenyl-1-propenyl]phenyl}-5-isoindolinecarboxamide
SpectraBase Compound ID BVctKBAJRjY
InChI InChI=1S/C46H31N3O6/c50-41(32-8-3-1-4-9-32)26-18-30-14-21-36(22-15-30)47-43(52)34-12-7-13-38(28-34)49-45(54)39-25-20-35(29-40(39)46(49)55)44(53)48-37-23-16-31(17-24-37)19-27-42(51)33-10-5-2-6-11-33/h1-29H,(H,47,52)(H,48,53)/b26-18+,27-19+
InChIKey VXEVPQYUEAJYRW-BFNWXZRRSA-N
Mol Weight 721.8 g/mol
Molecular Formula C46H31N3O6
Exact Mass 721.221286 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FTGbf3tupvn
Name 1,3-dioxo-2-[3-({4-[(1E)-3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-N-{4-[(1E)-3-oxo-3-phenyl-1-propenyl]phenyl}-5-isoindolinecarboxamide
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/C46H31N3O6/c50-41(32-8-3-1-4-9-32)26-18-30-14-21-36(22-15-30)47-43(52)34-12-7-13-38(28-34)49-45(54)39-25-20-35(29-40(39)46(49)55)44(53)48-37-23-16-31(17-24-37)19-27-42(51)33-10-5-2-6-11-33/h1-29H,(H,47,52)(H,48,53)/b26-18+,27-19+
InChIKey VXEVPQYUEAJYRW-BFNWXZRRSA-N
NMR Offset 15.1248
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3471
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: ZI/7034172; Labnumber: LN-0002471; IOH_ID: IOH-003472
Synonyms 1,3-dioxo-2-[3-({4-[3-oxo-3-phenyl-1-propenyl]anilino}carbonyl)phenyl]-N-{4-[3-oxo-3-phenyl-1-propenyl]phenyl}-5-isoindolinecarboxamide
Temperature 313 °C