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1-(4-chlorobenzyl)-8-(2,4-dibromophenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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1-(4-chlorobenzyl)-8-(2,4-dibromophenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID A0PEoMYeAkb
InChI InChI=1S/C20H15Br2ClN4O3/c1-25-16-17(24-19(25)30-15-8-5-12(21)9-14(15)22)26(2)20(29)27(18(16)28)10-11-3-6-13(23)7-4-11/h3-9H,10H2,1-2H3
InChIKey VHDUGBGCVRGVCS-UHFFFAOYSA-N
Mol Weight 554.63 g/mol
Molecular Formula C20H15Br2ClN4O3
Exact Mass 551.919944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I2hSYiFpaT8
Name 1-(4-chlorobenzyl)-8-(2,4-dibromophenoxy)-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/C20H15Br2ClN4O3/c1-25-16-17(24-19(25)30-15-8-5-12(21)9-14(15)22)26(2)20(29)27(18(16)28)10-11-3-6-13(23)7-4-11/h3-9H,10H2,1-2H3
InChIKey VHDUGBGCVRGVCS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4591
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: E09561; Labnumber: LRP02-1170; SBI_ID: SBI-004593
Temperature 308 °C