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4-nitrobenzaldehyde [7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 5HPnZbGtLb4
InChI InChI=1S/C21H18FN7O4/c1-26-18-17(19(30)27(2)21(26)31)28(12-14-3-7-15(22)8-4-14)20(24-18)25-23-11-13-5-9-16(10-6-13)29(32)33/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey CETMKXAVFXIMFK-FOKLQQMPSA-N
Mol Weight 451.42 g/mol
Molecular Formula C21H18FN7O4
Exact Mass 451.14043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GK0evmRYaG
Name 4-nitrobenzaldehyde [7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
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/C21H18FN7O4/c1-26-18-17(19(30)27(2)21(26)31)28(12-14-3-7-15(22)8-4-14)20(24-18)25-23-11-13-5-9-16(10-6-13)29(32)33/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey CETMKXAVFXIMFK-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20189
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: D16368; Labnumber: UZROM-3489; SBI_ID: SBI-020193
Temperature 318 °C