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3-hydroxybenzaldehyde [1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID 1LKU8tTXqZ0
InChI InChI=1S/C22H22N6O3/c1-14-7-9-15(10-8-14)13-28-18-19(26(2)22(31)27(3)20(18)30)24-21(28)25-23-12-16-5-4-6-17(29)11-16/h4-12,29H,13H2,1-3H3,(H,24,25)/b23-12+
InChIKey VMCSNAHYDJQAKM-FSJBWODESA-N
Mol Weight 418.46 g/mol
Molecular Formula C22H22N6O3
Exact Mass 418.175339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ha2lydHA8xv
Name 3-hydroxybenzaldehyde [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/C22H22N6O3/c1-14-7-9-15(10-8-14)13-28-18-19(26(2)22(31)27(3)20(18)30)24-21(28)25-23-12-16-5-4-6-17(29)11-16/h4-12,29H,13H2,1-3H3,(H,24,25)/b23-12+
InChIKey VMCSNAHYDJQAKM-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6618
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: D16295; Labnumber: UZROM-3393; SBI_ID: SBI-006621
Temperature 318 °C