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1,3-dimethyl-7-(4-nitrobenzyl)-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CwtVVW17GSS
InChI InChI=1S/C22H22N6O4/c1-25-19-18(20(29)26(2)22(25)30)27(14-16-8-10-17(11-9-16)28(31)32)21(24-19)23-13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,23,24)
InChIKey MRDYTAAIWFJXRU-UHFFFAOYSA-N
Mol Weight 434.46 g/mol
Molecular Formula C22H22N6O4
Exact Mass 434.170253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dj5vuqEgblp
Name 1,3-dimethyl-7-(4-nitrobenzyl)-8-[(2-phenylethyl)amino]-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/C22H22N6O4/c1-25-19-18(20(29)26(2)22(25)30)27(14-16-8-10-17(11-9-16)28(31)32)21(24-19)23-13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,23,24)
InChIKey MRDYTAAIWFJXRU-UHFFFAOYSA-N
NMR Offset 16.5783
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_8706
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: D36283; Labnumber: LRP02-0434; SBI_ID: SBI-008709
Temperature 315 °C