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1,3-dimethyl-5-[(9H-purin-6-ylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 3EJQzKcMISy
InChI InChI=1S/C12H11N7O3/c1-18-10(20)6(11(21)19(2)12(18)22)3-13-8-7-9(15-4-14-7)17-5-16-8/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKey YCKDDLBWZDSLPO-UHFFFAOYSA-N
Mol Weight 301.27 g/mol
Molecular Formula C12H11N7O3
Exact Mass 301.092337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Aag5WUQfur
Name 1,3-dimethyl-5-[(9H-purin-6-ylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C12H11N7O3/c1-18-10(20)6(11(21)19(2)12(18)22)3-13-8-7-9(15-4-14-7)17-5-16-8/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKey YCKDDLBWZDSLPO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23434
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: D40400; Labnumber: NC98SP32-1600; SBI_ID: SBI-023438
Temperature 318 °C