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

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1,3-dimethyl-8-(4-morpholinyl)-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2Rebe6gVYz3
InChI InChI=1S/C18H20N6O5/c1-20-15-14(16(25)21(2)18(20)26)23(17(19-15)22-7-9-29-10-8-22)11-12-3-5-13(6-4-12)24(27)28/h3-6H,7-11H2,1-2H3
InChIKey OPNMHUJJLXRZIS-UHFFFAOYSA-N
Mol Weight 400.4 g/mol
Molecular Formula C18H20N6O5
Exact Mass 400.149518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Bkt5L8xsqm
Name 1,3-dimethyl-8-(4-morpholinyl)-7-(4-nitrobenzyl)-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/C18H20N6O5/c1-20-15-14(16(25)21(2)18(20)26)23(17(19-15)22-7-9-29-10-8-22)11-12-3-5-13(6-4-12)24(27)28/h3-6H,7-11H2,1-2H3
InChIKey OPNMHUJJLXRZIS-UHFFFAOYSA-N
NMR Offset 16.5783
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_SBI_36227_8708
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: D36285; Labnumber: LRP02-0437; SBI_ID: SBI-008711
Temperature 315 °C