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nicotinaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 71AJUIu5LM5
InChI InChI=1S/C20H19N7O3/c1-26-17-16(18(28)24-20(26)29)27(10-11-30-15-7-3-2-4-8-15)19(23-17)25-22-13-14-6-5-9-21-12-14/h2-9,12-13H,10-11H2,1H3,(H,23,25)(H,24,28,29)/b22-13+
InChIKey DHGCVWXCIRAQEW-LPYMAVHISA-N
Mol Weight 405.42 g/mol
Molecular Formula C20H19N7O3
Exact Mass 405.154937 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JHyYDgtqy23
Name nicotinaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-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/C20H19N7O3/c1-26-17-16(18(28)24-20(26)29)27(10-11-30-15-7-3-2-4-8-15)19(23-17)25-22-13-14-6-5-9-21-12-14/h2-9,12-13H,10-11H2,1H3,(H,23,25)(H,24,28,29)/b22-13+
InChIKey DHGCVWXCIRAQEW-LPYMAVHISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6621
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: D16298; Labnumber: UZROM-3396; SBI_ID: SBI-006624
Temperature 318 °C