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

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8-(1H-imidazol-1-yl)-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4JkiEwTStsd
InChI InChI=1S/C17H15N7O4/c1-20-14-13(15(25)21(2)17(20)26)23(16(19-14)22-8-7-18-10-22)9-11-3-5-12(6-4-11)24(27)28/h3-8,10H,9H2,1-2H3
InChIKey FXYBDJRODYEHMM-UHFFFAOYSA-N
Mol Weight 381.35 g/mol
Molecular Formula C17H15N7O4
Exact Mass 381.118552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4DAQ505zBjq
Name 8-(1H-imidazol-1-yl)-1,3-dimethyl-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/C17H15N7O4/c1-20-14-13(15(25)21(2)17(20)26)23(16(19-14)22-8-7-18-10-22)9-11-3-5-12(6-4-11)24(27)28/h3-8,10H,9H2,1-2H3
InChIKey FXYBDJRODYEHMM-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1624
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: NMR/9244700; Labnumber: LP-3701017
Temperature 297 °C