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1-BUTYL-8-(4-CARBOXY)-PHENYLXANTHINE
SpectraBase Compound ID jDMxG7a5JO
InChI InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)
InChIKey LMILITTYMRTXLT-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C16H16N4O4
Exact Mass 328.117155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID g4tqFuQHis
Name 1-BUTYL-8-(4-CARBOXY)-PHENYLXANTHINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N4O4
InChI InChI=1S/C16H16N4O4/c1-2-3-8-20-14(21)11-13(19-16(20)24)18-12(17-11)9-4-6-10(7-5-9)15(22)23/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,24)(H,22,23)
InChIKey LMILITTYMRTXLT-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 328.327 g/mol
Sample ID 64305
Solvent DMSO-D6