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(+/-)-N(9)-(4-CHLORO-1,2-BUTADIEN-1-YL)-ADENINE

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(+/-)-N(9)-(4-CHLORO-1,2-BUTADIEN-1-YL)-ADENINE
SpectraBase Compound ID APShKbeAc3w
InChI InChI=1S/C9H8ClN5/c10-3-1-2-4-15-6-14-7-8(11)12-5-13-9(7)15/h1,4-6H,3H2,(H2,11,12,13)
InChIKey ZVKCHPLRXYPLFB-UHFFFAOYSA-N
Mol Weight 221.65 g/mol
Molecular Formula C9H8ClN5
Exact Mass 221.046823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fouoLgCAgN
Name (+/-)-N(9)-(4-CHLORO-1,2-BUTADIEN-1-YL)-ADENINE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8ClN5
InChI InChI=1S/C9H8ClN5/c10-3-1-2-4-15-6-14-7-8(11)12-5-13-9(7)15/h1,4-6H,3H2,(H2,11,12,13)
InChIKey ZVKCHPLRXYPLFB-UHFFFAOYSA-N
Literature Reference Author S.PHADTARE,J.ZEMLICKA
Literature Reference Citation J.AM.CHEM.SOC.,111,5925(1989)
Literature Reference DOI 10.1021/ja00197a063
Molecular Weight 221.649 g/mol
Solvent DMSO-D6
Source File Reference UWCS12781