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4H-indazol-4-one, 5-[[(2-bromo-4-nitrophenyl)amino]methylene]-1,5,6,7-tetrahydro-3-methyl-1-(2-pyridinyl)-, (5E)-
SpectraBase Compound ID FOy9aFg35r2
InChI InChI=1S/C20H16BrN5O3/c1-12-19-17(25(24-12)18-4-2-3-9-22-18)8-5-13(20(19)27)11-23-16-7-6-14(26(28)29)10-15(16)21/h2-4,6-7,9-11,23H,5,8H2,1H3/b13-11+
InChIKey BOACZCFTYYMTDM-ACCUITESSA-N
Mol Weight 454.28 g/mol
Molecular Formula C20H16BrN5O3
Exact Mass 453.043652 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dgHsnHbljz
Name 4H-indazol-4-one, 5-[[(2-bromo-4-nitrophenyl)amino]methylene]-1,5,6,7-tetrahydro-3-methyl-1-(2-pyridinyl)-, (5E)-
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/C20H16BrN5O3/c1-12-19-17(25(24-12)18-4-2-3-9-22-18)8-5-13(20(19)27)11-23-16-7-6-14(26(28)29)10-15(16)21/h2-4,6-7,9-11,23H,5,8H2,1H3/b13-11+
InChIKey BOACZCFTYYMTDM-ACCUITESSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3933
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: NMR/11318150