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isonicotinaldehyde [7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID AwnGZr3r6ca
InChI InChI=1S/C21H21N7O4/c1-27-18-17(19(30)25-21(27)31)28(12-15(29)13-32-16-5-3-2-4-6-16)20(24-18)26-23-11-14-7-9-22-10-8-14/h2-11,15,29H,12-13H2,1H3,(H,24,26)(H,25,30,31)/b23-11+
InChIKey QMXYJBFAMZGUCZ-FOKLQQMPSA-N
Mol Weight 435.44 g/mol
Molecular Formula C21H21N7O4
Exact Mass 435.165502 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4B89uNrTeLe
Name isonicotinaldehyde [7-(2-hydroxy-3-phenoxypropyl)-3-methyl-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/C21H21N7O4/c1-27-18-17(19(30)25-21(27)31)28(12-15(29)13-32-16-5-3-2-4-6-16)20(24-18)26-23-11-14-7-9-22-10-8-14/h2-11,15,29H,12-13H2,1H3,(H,24,26)(H,25,30,31)/b23-11+
InChIKey QMXYJBFAMZGUCZ-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25297
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: D49652; Labnumber: UZROM-4052; SBI_ID: SBI-025301
Temperature 318 °C