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isonicotinaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 2JoA5KXSzsT
InChI InChI=1S/C21H21N7O2/c1-14-4-6-16(7-5-14)13-28-17-18(26(2)21(30)27(3)19(17)29)24-20(28)25-23-12-15-8-10-22-11-9-15/h4-12H,13H2,1-3H3,(H,24,25)/b23-12+
InChIKey GLCAXWJIIVJWAB-FSJBWODESA-N
Mol Weight 403.45 g/mol
Molecular Formula C21H21N7O2
Exact Mass 403.175673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5rUdTJ9815H
Name isonicotinaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-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/C21H21N7O2/c1-14-4-6-16(7-5-14)13-28-17-18(26(2)21(30)27(3)19(17)29)24-20(28)25-23-12-15-8-10-22-11-9-15/h4-12H,13H2,1-3H3,(H,24,25)/b23-12+
InChIKey GLCAXWJIIVJWAB-FSJBWODESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20141
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: D16304; Labnumber: UZROM-3402; SBI_ID: SBI-020145
Temperature 318 °C