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nicotinaldehyde [7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID C8DxqCUBjRN
InChI InChI=1S/C20H18ClN7O2/c1-26-17-16(18(29)27(2)20(26)30)28(12-13-5-7-15(21)8-6-13)19(24-17)25-23-11-14-4-3-9-22-10-14/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey NCUXQXWDOISFNS-FOKLQQMPSA-N
Mol Weight 423.86 g/mol
Molecular Formula C20H18ClN7O2
Exact Mass 423.121051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 75mTyBgHS7u
Name nicotinaldehyde [7-(4-chlorobenzyl)-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/C20H18ClN7O2/c1-26-17-16(18(29)27(2)20(26)30)28(12-13-5-7-15(21)8-6-13)19(24-17)25-23-11-14-4-3-9-22-10-14/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey NCUXQXWDOISFNS-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20199
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: D16378; Labnumber: UZROM-3500; SBI_ID: SBI-020203
Temperature 318 °C