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1,3(2H,4H)-isoquinolinedione, 4-[[[3-(1H-imidazol-1-yl)propyl]amino]methylene]-2-(2-methoxyphenyl)-, (4E)-
SpectraBase Compound ID 2KfuM4E0bKt
InChI InChI=1S/C23H22N4O3/c1-30-21-10-5-4-9-20(21)27-22(28)18-8-3-2-7-17(18)19(23(27)29)15-24-11-6-13-26-14-12-25-16-26/h2-5,7-10,12,14-16,24H,6,11,13H2,1H3/b19-15+
InChIKey BFJNNDXCVFYHCF-XDJHFCHBSA-N
Mol Weight 402.45 g/mol
Molecular Formula C23H22N4O3
Exact Mass 402.169191 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dmcn0CDQUt8
Name 1,3(2H,4H)-isoquinolinedione, 4-[[[3-(1H-imidazol-1-yl)propyl]amino]methylene]-2-(2-methoxyphenyl)-, (4E)-
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/C23H22N4O3/c1-30-21-10-5-4-9-20(21)27-22(28)18-8-3-2-7-17(18)19(23(27)29)15-24-11-6-13-26-14-12-25-16-26/h2-5,7-10,12,14-16,24H,6,11,13H2,1H3/b19-15+
InChIKey BFJNNDXCVFYHCF-XDJHFCHBSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8609
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: F33076; Labnumber: ExLab-236646