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nicotinaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone

View entire compound with spectra: 2 NMR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjXRFw0fHFr
Name Nicotinaldehyde [3-methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.154937497 u
Formula C20H19N7O3
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
Molecular Weight 405.418 g/mol
SMILES N(C=1N(C2=C(N(C(NC2=O)=O)C)N1)CCOC=1C=CC=CC1)\N=C\C=1C=NC=CC1