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1,3-dimethyl-2,6-dioxo-8-(pyridin-1-ium-1-yl)-1,2,3,6-tetrahydropurin-7-ide

View entire compound with spectra: 1 NMR

1,3-dimethyl-2,6-dioxo-8-(pyridin-1-ium-1-yl)-1,2,3,6-tetrahydropurin-7-ide
SpectraBase Compound ID Gu1348Rsciw
InChI InChI=1S/C12H11N5O2/c1-15-9-8(10(18)16(2)12(15)19)13-11(14-9)17-6-4-3-5-7-17/h3-7H,1-2H3
InChIKey APSKWJBCTCBPQA-UHFFFAOYSA-N
Mol Weight 257.25 g/mol
Molecular Formula C12H11N5O2
Exact Mass 257.091275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gyu6zHVaNhN
Name 1,3-dimethyl-2,6-dioxo-8-(pyridin-1-ium-1-yl)-1,2,3,6-tetrahydropurin-7-ide
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/C12H11N5O2/c1-15-9-8(10(18)16(2)12(15)19)13-11(14-9)17-6-4-3-5-7-17/h3-7H,1-2H3
InChIKey APSKWJBCTCBPQA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9829
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: 128566; Labnumber: EX00112599; VK_ID: VK-009833
Temperature 315 °C