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isonicotinaldehyde [1-(3-fluorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 539lWjZg3vs
InChI InChI=1S/C20H18FN7O2/c1-26-16-17(24-19(26)25-23-11-13-6-8-22-9-7-13)27(2)20(30)28(18(16)29)12-14-4-3-5-15(21)10-14/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey XHKUKGWWCFPZEB-FOKLQQMPSA-N
Mol Weight 407.41 g/mol
Molecular Formula C20H18FN7O2
Exact Mass 407.150601 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ItHMQxr0jxf
Name isonicotinaldehyde [1-(3-fluorobenzyl)-3,7-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/C20H18FN7O2/c1-26-16-17(24-19(26)25-23-11-13-6-8-22-9-7-13)27(2)20(30)28(18(16)29)12-14-4-3-5-15(21)10-14/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey XHKUKGWWCFPZEB-FOKLQQMPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22561
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: D59969; Labnumber: LRP02-0663; SBI_ID: SBI-022565
Temperature 308 °C