John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CbdnrHZCCVt SpectraBase Spectrum ID=2bzb4SBIwGm

(accessed ).
[2-(13)C-1,3-(15)N2]-6-CHLOROPURINE
SpectraBase Compound ID CbdnrHZCCVt
InChI InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)/i2+1,8+1,10+1
InChIKey ZKBQDFAWXLTYKS-IAVAFLEASA-N
Mol Weight 157.54 g/mol
Molecular Formula C413CH3ClN215N2
Exact Mass 157.002049 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bzb4SBIwGm
Name [2-(13)C-1,3-(15)N2]-6-CHLOROPURINE
Compound Number 8B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H3ClN215N2
InChI InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)/i2+1,8+1,10+1
InChIKey ZKBQDFAWXLTYKS-IAVAFLEASA-N
Literature Reference Author J.L.ABAD,B.L.GAFFNEY,R.A.JONES
Literature Reference Citation J.ORG.CHEM.,64,6575(1999)
Literature Reference DOI 10.1021/jo982372k
Solvent DMSO-D6
Source File Reference UWLU59437
SpectraBase Batch ID 4ZDzLmWklti