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N-(3,5-DIBROMO-4-HYDROXYBENZYL)-8-OXOADENINE;APLIDIAMINE
SpectraBase Compound ID AzIF9KHmLoN
InChI InChI=1S/C12H9Br2N5O2/c13-6-1-5(2-7(14)9(6)20)3-15-10-8-11(17-4-16-10)19-12(21)18-8/h1-2,4,20H,3H2,(H3,15,16,17,18,19,21)
InChIKey FXJCPCLEPGZXDK-UHFFFAOYSA-N
Mol Weight 415.05 g/mol
Molecular Formula C12H9Br2N5O2
Exact Mass 412.912301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID R9cGyGZG2f
Name N-(3,5-DIBROMO-4-HYDROXYBENZYL)-8-OXOADENINE;APLIDIAMINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9Br2N5O2
InChI InChI=1S/C12H9Br2N5O2/c13-6-1-5(2-7(14)9(6)20)3-15-10-8-11(17-4-16-10)19-12(21)18-8/h1-2,4,20H,3H2,(H3,15,16,17,18,19,21)
InChIKey FXJCPCLEPGZXDK-UHFFFAOYSA-N
Literature Reference Author T.ITAYA,Y.HOZUMI,T.KANAI,T.OHTA
Literature Reference Citation CHEM.PHARM.BULL.,47,1297(1999)
Literature Reference DOI 10.1248/cpb.47.1297
Molecular Weight 415.044 g/mol
Solvent DMSO-D6
Source File Reference UWLU8262