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4-((E)-{2-[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazono}methyl)phenyl 2-furoate
SpectraBase Compound ID AVrG4i1Pbtx
InChI InChI=1S/C26H21ClN6O5/c1-31-22-21(23(34)32(2)26(31)36)33(15-17-6-3-4-7-19(17)27)25(29-22)30-28-14-16-9-11-18(12-10-16)38-24(35)20-8-5-13-37-20/h3-14H,15H2,1-2H3,(H,29,30)/b28-14+
InChIKey IDUHPEJOJCAKLB-CCVNUDIWSA-N
Mol Weight 532.94 g/mol
Molecular Formula C26H21ClN6O5
Exact Mass 532.126195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 44JQGEbRVP5
Name 4-((E)-{2-[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazono}methyl)phenyl 2-furoate
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/C26H21ClN6O5/c1-31-22-21(23(34)32(2)26(31)36)33(15-17-6-3-4-7-19(17)27)25(29-22)30-28-14-16-9-11-18(12-10-16)38-24(35)20-8-5-13-37-20/h3-14H,15H2,1-2H3,(H,29,30)/b28-14+
InChIKey IDUHPEJOJCAKLB-CCVNUDIWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8723
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: D36322; Labnumber: LRP02-0599; SBI_ID: SBI-008726
Synonyms 4-({2-[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazono}methyl)phenyl 2-furoate
Temperature 308 °C