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7-[3-BROMO-2-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-4,5-DIHYDROXYBENZYL]-3,7-DIHYDRO-1-H-PURINE-2,6-DIONE
SpectraBase Compound ID Fm32R72PXcp
InChI InChI=1S/C19H13Br3N4O6/c20-11-6(2-9(27)16(30)13(11)22)1-8-7(3-10(28)15(29)12(8)21)4-26-5-23-17-14(26)18(31)25-19(32)24-17/h2-3,5,27-30H,1,4H2,(H2,24,25,31,32)
InChIKey UWKQGGGAGXOVAC-UHFFFAOYSA-N
Mol Weight 633.05 g/mol
Molecular Formula C19H13Br3N4O6
Exact Mass 629.838523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1sEDrGawwD
Name 7-[3-BROMO-2-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-4,5-DIHYDROXYBENZYL]-3,7-DIHYDRO-1-H-PURINE-2,6-DIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H13Br3N4O6
InChI InChI=1S/C19H13Br3N4O6/c20-11-6(2-9(27)16(30)13(11)22)1-8-7(3-10(28)15(29)12(8)21)4-26-5-23-17-14(26)18(31)25-19(32)24-17/h2-3,5,27-30H,1,4H2,(H2,24,25,31,32)
InChIKey UWKQGGGAGXOVAC-UHFFFAOYSA-N
Literature Reference Author M.MA,J.ZHAO,S.WANG,S.LI,Y.YANG,J.SHI,X.FAN,L.HE
Literature Reference Citation J.NAT.PROD.,70,337(2007)
Literature Reference DOI 10.1021/np060400l
Molecular Weight 633.047 g/mol
Sample ID 30005
Solvent DMSO-D6