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8-(4-BROMOPHENYL)-1-PROPYLXANTHINE
SpectraBase Compound ID yVkyqtfYzs
InChI InChI=1S/C14H13BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h3-6H,2,7H2,1H3,(H,16,17)(H,18,21)
InChIKey SGDDWGHVEWPBQA-UHFFFAOYSA-N
Mol Weight 349.19 g/mol
Molecular Formula C14H13BrN4O2
Exact Mass 348.022189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Czrn6tkJPEu
Name 8-(4-BROMOPHENYL)-1-PROPYLXANTHINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13BrN4O2
InChI InChI=1S/C14H13BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h3-6H,2,7H2,1H3,(H,16,17)(H,18,21)
InChIKey SGDDWGHVEWPBQA-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 349.187 g/mol
Sample ID 64302
Solvent DMSO-D6