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8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-1-(4-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 151CqJ4xtiy
InChI InChI=1S/C22H17BrClN7O3/c1-29-17-18(30(2)22(34)31(20(17)33)10-11-3-6-13(24)7-4-11)26-21(29)28-27-16-14-9-12(23)5-8-15(14)25-19(16)32/h3-9H,10H2,1-2H3,(H,26,28)(H,25,27,32)
InChIKey GYKGVENWVDGGIK-UHFFFAOYSA-N
Mol Weight 542.78 g/mol
Molecular Formula C22H17BrClN7O3
Exact Mass 541.026478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 62iYbdxS6M7
Name 8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-1-(4-chlorobenzyl)-3,7-dimethyl-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/C22H17BrClN7O3/c1-29-17-18(30(2)22(34)31(20(17)33)10-11-3-6-13(24)7-4-11)26-21(29)28-27-16-14-9-12(23)5-8-15(14)25-19(16)32/h3-9H,10H2,1-2H3,(H,26,28)(H,25,27,32)
InChIKey GYKGVENWVDGGIK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8720
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: D36318; Labnumber: LRP02-0588; SBI_ID: SBI-008723
Synonyms 8-[2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-1-(4-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Temperature 308 °C