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1H-isoindole-5-carboxamide, 2-[4-[4-[1,3-dihydro-5-[[(3-nitrophenyl)amino]carbonyl]-1,3-dioxo-2H-isoindol-2-yl]phenoxy]phenyl]-2,3-dihydro-N-(3-nitrophenyl)-1,3-dioxo-
SpectraBase Compound ID CywHLW5IXCC
InChI InChI=1S/C42H24N6O11/c49-37(43-25-3-1-5-29(21-25)47(55)56)23-7-17-33-35(19-23)41(53)45(39(33)51)27-9-13-31(14-10-27)59-32-15-11-28(12-16-32)46-40(52)34-18-8-24(20-36(34)42(46)54)38(50)44-26-4-2-6-30(22-26)48(57)58/h1-22H,(H,43,49)(H,44,50)
InChIKey GKIUIYDGZBWSFZ-UHFFFAOYSA-N
Mol Weight 788.7 g/mol
Molecular Formula C42H24N6O11
Exact Mass 788.150306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18B7A3QR7Ep
Name 1H-isoindole-5-carboxamide, 2-[4-[4-[1,3-dihydro-5-[[(3-nitrophenyl)amino]carbonyl]-1,3-dioxo-2H-isoindol-2-yl]phenoxy]phenyl]-2,3-dihydro-N-(3-nitrophenyl)-1,3-dioxo-
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/C42H24N6O11/c49-37(43-25-3-1-5-29(21-25)47(55)56)23-7-17-33-35(19-23)41(53)45(39(33)51)27-9-13-31(14-10-27)59-32-15-11-28(12-16-32)46-40(52)34-18-8-24(20-36(34)42(46)54)38(50)44-26-4-2-6-30(22-26)48(57)58/h1-22H,(H,43,49)(H,44,50)
InChIKey GKIUIYDGZBWSFZ-UHFFFAOYSA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3178
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: ZID/5048341; Labnumber: LD5591a; IOH_ID: IOH-010181
Temperature 297 °C