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N9-[4'-CHLORO-2'-BUTYNYL-1'-YL]-6-(4-FLUOROPHENYL)-PURINE
SpectraBase Compound ID HdI5uDIpB1K
InChI InChI=1S/C15H10ClFN4/c16-7-1-2-8-21-10-20-14-13(18-9-19-15(14)21)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8H2
InChIKey ISEMCZZCSXVIDW-UHFFFAOYSA-N
Mol Weight 300.72 g/mol
Molecular Formula C15H10ClFN4
Exact Mass 300.057802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYeT62S2GUw
Name N9-[4'-CHLORO-2'-BUTYNYL-1'-YL]-6-(4-FLUOROPHENYL)-PURINE
Compound Number 20A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H10ClFN4
InChI InChI=1S/C15H10ClFN4/c16-7-1-2-8-21-10-20-14-13(18-9-19-15(14)21)11-3-5-12(17)6-4-11/h3-6,9-10H,7-8H2
InChIKey ISEMCZZCSXVIDW-UHFFFAOYSA-N
Literature Reference Author N.R.KODE,S.PHADTARE
Literature Reference Citation MOLECULES,16,5840(2011)
Literature Reference DOI 10.3390/molecules16075840
Molecular Weight 300.723 g/mol
Sample ID 434
Solvent DMSO-D6