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8-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4XGHRAieuvx
InChI InChI=1S/C22H22N6O3/c1-13-8-10-15(11-9-13)12-28-18-19(27(3)22(31)24-20(18)30)23-21(28)26-25-14(2)16-6-4-5-7-17(16)29/h4-11,29H,12H2,1-3H3,(H,23,26)(H,24,30,31)/b25-14+
InChIKey QMZJPDDYHGIWJM-AFUMVMLFSA-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 7T8uqiju6oj
Name 8-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
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/c1-13-8-10-15(11-9-13)12-28-18-19(27(3)22(31)24-20(18)30)23-21(28)26-25-14(2)16-6-4-5-7-17(16)29/h4-11,29H,12H2,1-3H3,(H,23,26)(H,24,30,31)/b25-14+
InChIKey QMZJPDDYHGIWJM-AFUMVMLFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20160
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: D16329; Labnumber: UZROM-3434; SBI_ID: SBI-020164
Synonyms 8-{2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Temperature 318 °C