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8-(4-BROMOPHENYL)-1-PROPARGYLXANTHINE
SpectraBase Compound ID D5uczqDwyAe
InChI InChI=1S/C14H9BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h1,3-6H,7H2,(H,16,17)(H,18,21)
InChIKey MZKFWENNHZOFBS-UHFFFAOYSA-N
Mol Weight 345.16 g/mol
Molecular Formula C14H9BrN4O2
Exact Mass 343.990889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aE8YJsur2E
Name 8-(4-BROMOPHENYL)-1-PROPARGYLXANTHINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H9BrN4O2
InChI InChI=1S/C14H9BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h1,3-6H,7H2,(H,16,17)(H,18,21)
InChIKey MZKFWENNHZOFBS-UHFFFAOYSA-N
Literature Reference Author A.M.HAYALLAH,J.SANDOVAL-RAMIREZ,U.REITH,U.SCHOBERT,B.PREISS, B.SCHUMACHER,J.W.DAL
Literature Reference Citation J.MED.CHEM.,45,1500(2002)
Literature Reference DOI 10.1021/jm011049y
Molecular Weight 345.155 g/mol
Sample ID 64304
Solvent DMSO-D6