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1-BUTYL-8-[4-(CARBOXYMETHYL)-PHENYL]-XANTHINE

View entire compound with spectra: 1 NMR

1-BUTYL-8-[4-(CARBOXYMETHYL)-PHENYL]-XANTHINE
SpectraBase Compound ID 2066oaGZj7n
InChI InChI=1S/C17H18N4O4/c1-2-3-8-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-4-10(5-7-11)9-12(22)23/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,20,25)(H,22,23)
InChIKey AEGGQHBFSYNDCU-UHFFFAOYSA-N
Mol Weight 342.36 g/mol
Molecular Formula C17H18N4O4
Exact Mass 342.132805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKNg1QbZzQo
Name 1-BUTYL-8-[4-(CARBOXYMETHYL)-PHENYL]-XANTHINE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N4O4
InChI InChI=1S/C17H18N4O4/c1-2-3-8-21-16(24)13-15(20-17(21)25)19-14(18-13)11-6-4-10(5-7-11)9-12(22)23/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,20,25)(H,22,23)
InChIKey AEGGQHBFSYNDCU-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 342.354 g/mol
Sample ID 64308
Solvent DMSO-D6