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9-[3-BROMO-2-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-4,5-DIHYDROXYBENZYL]-ADENINE
SpectraBase Compound ID PvnTu7r97k
InChI InChI=1S/C19H14Br3N5O4/c20-12-7(2-10(28)17(31)14(12)22)1-9-8(3-11(29)16(30)13(9)21)4-27-6-26-15-18(23)24-5-25-19(15)27/h2-3,5-6,28-31H,1,4H2,(H2,23,24,25)
InChIKey LNDRNSGCCHZQMR-UHFFFAOYSA-N
Mol Weight 616.06 g/mol
Molecular Formula C19H14Br3N5O4
Exact Mass 612.859593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jQjC6hLZWv
Name 9-[3-BROMO-2-(2,3-DIBROMO-4,5-DIHYDROXYBENZYL)-4,5-DIHYDROXYBENZYL]-ADENINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14Br3N5O4
InChI InChI=1S/C19H14Br3N5O4/c20-12-7(2-10(28)17(31)14(12)22)1-9-8(3-11(29)16(30)13(9)21)4-27-6-26-15-18(23)24-5-25-19(15)27/h2-3,5-6,28-31H,1,4H2,(H2,23,24,25)
InChIKey LNDRNSGCCHZQMR-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 616.063 g/mol
Sample ID 30007
Solvent DMSO-D6