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N9-[(E)-4'-CHLORO-2'-BUTENYL-1'-YL]-6-(4-METHOXYPHENYL)-PURINE
SpectraBase Compound ID GO6BxayXiwQ
InChI InChI=1S/C16H15ClN4O/c1-22-13-6-4-12(5-7-13)14-15-16(19-10-18-14)21(11-20-15)9-3-2-8-17/h2-7,10-11H,8-9H2,1H3/b3-2+
InChIKey CVCVFESCXPSHRJ-NSCUHMNNSA-N
Mol Weight 314.78 g/mol
Molecular Formula C16H15ClN4O
Exact Mass 314.093439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Zo98Byt4jI
Name N9-[(E)-4'-CHLORO-2'-BUTENYL-1'-YL]-6-(4-METHOXYPHENYL)-PURINE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15ClN4O
InChI InChI=1S/C16H15ClN4O/c1-22-13-6-4-12(5-7-13)14-15-16(19-10-18-14)21(11-20-15)9-3-2-8-17/h2-7,10-11H,8-9H2,1H3/b3-2+
InChIKey CVCVFESCXPSHRJ-NSCUHMNNSA-N
Literature Reference Author N.R.KODE,S.PHADTARE
Literature Reference Citation MOLECULES,16,5840(2011)
Literature Reference DOI 10.3390/molecules16075840
Molecular Weight 314.774 g/mol
Sample ID 430
Solvent DMSO-D6