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N9-[(E)-2',3'-DIBROMO-4'-CHLORO-2'-BUTENYL-1'-YL]-6-CHLORO-PURINE
SpectraBase Compound ID KumiRs11PrK
InChI InChI=1S/C9H6Br2Cl2N4/c10-5(1-12)6(11)2-17-4-16-7-8(13)14-3-15-9(7)17/h3-4H,1-2H2/b6-5+
InChIKey ZOQGTOVGZNJDQJ-AATRIKPKSA-N
Mol Weight 400.89 g/mol
Molecular Formula C9H6Br2Cl2N4
Exact Mass 397.833628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6R7lL97rtF1
Name N9-[(E)-2',3'-DIBROMO-4'-CHLORO-2'-BUTENYL-1'-YL]-6-CHLORO-PURINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6Br2Cl2N4
InChI InChI=1S/C9H6Br2Cl2N4/c10-5(1-12)6(11)2-17-4-16-7-8(13)14-3-15-9(7)17/h3-4H,1-2H2/b6-5+
InChIKey ZOQGTOVGZNJDQJ-AATRIKPKSA-N
Literature Reference Author N.R.KODE,S.PHADTARE
Literature Reference Citation MOLECULES,16,5840(2011)
Literature Reference DOI 10.3390/molecules16075840
Molecular Weight 400.887 g/mol
Sample ID 424
Solvent DMSO-D6