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1,3-dimethyl-7-(4-nitrobenzyl)-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione

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1,3-dimethyl-7-(4-nitrobenzyl)-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4mgEccT57vH
InChI InChI=1S/C19H22N6O4/c1-21-16-15(17(26)22(2)19(21)27)24(18(20-16)23-10-4-3-5-11-23)12-13-6-8-14(9-7-13)25(28)29/h6-9H,3-5,10-12H2,1-2H3
InChIKey IKVLVKGEJWFTQD-UHFFFAOYSA-N
Mol Weight 398.42 g/mol
Molecular Formula C19H22N6O4
Exact Mass 398.170253 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4s2MSICK0br
Name 1,3-dimethyl-7-(4-nitrobenzyl)-8-(1-piperidinyl)-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/C19H22N6O4/c1-21-16-15(17(26)22(2)19(21)27)24(18(20-16)23-10-4-3-5-11-23)12-13-6-8-14(9-7-13)25(28)29/h6-9H,3-5,10-12H2,1-2H3
InChIKey IKVLVKGEJWFTQD-UHFFFAOYSA-N
NMR Offset 16.5783
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_8707
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: D36284; Labnumber: LRP02-0436; SBI_ID: SBI-008710
Temperature 315 °C