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2,4,5,6(1H,3H)-pyrimidinetetrone 5-{[7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone}
SpectraBase Compound ID 54zgl60mOEb
InChI InChI=1S/C18H15FN8O5/c1-25-12-11(15(30)26(2)18(25)32)27(7-8-3-5-9(19)6-4-8)16(20-12)24-23-10-13(28)21-17(31)22-14(10)29/h3-6H,7H2,1-2H3,(H,20,24)(H2,21,22,28,29,31)
InChIKey FKIXRBUEBRFTAT-UHFFFAOYSA-N
Mol Weight 442.37 g/mol
Molecular Formula C18H15FN8O5
Exact Mass 442.114944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DYVFFDhZ8Q9
Name 2,4,5,6(1H,3H)-pyrimidinetetrone 5-{[7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone}
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/C18H15FN8O5/c1-25-12-11(15(30)26(2)18(25)32)27(7-8-3-5-9(19)6-4-8)16(20-12)24-23-10-13(28)21-17(31)22-14(10)29/h3-6H,7H2,1-2H3,(H,20,24)(H2,21,22,28,29,31)
InChIKey FKIXRBUEBRFTAT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25245
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: D49588; Labnumber: UZROM-3967; SBI_ID: SBI-025249
Temperature 318 °C