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1-(1-BENZOYLETHYL)-9-[(1,3-DIHYDROXY-2-PROPOXY)-METHYL]-GUANINE
SpectraBase Compound ID QsLzTkJJ48
InChI InChI=1S/C18H21N5O5/c1-11(15(26)12-5-3-2-4-6-12)23-17(27)14-16(21-18(23)19)22(9-20-14)10-28-13(7-24)8-25/h2-6,9,11,13,24-25H,7-8,10H2,1H3,(H2,19,21)
InChIKey SMJUSMPVSDJNSU-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C18H21N5O5
Exact Mass 387.154269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClHBlwzMjzP
Name 1-(1-BENZOYLETHYL)-9-[(1,3-DIHYDROXY-2-PROPOXY)-METHYL]-GUANINE
Compound Number 28'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21N5O5
InChI InChI=1S/C18H21N5O5/c1-11(15(26)12-5-3-2-4-6-12)23-17(27)14-16(21-18(23)19)22(9-20-14)10-28-13(7-24)8-25/h2-6,9,11,13,24-25H,7-8,10H2,1H3,(H2,19,21)
InChIKey SMJUSMPVSDJNSU-UHFFFAOYSA-N
Literature Reference Author B.GOLANKIEWICZ,T.OSTROWSKI,T.GOSLINSKI,P.JANUSZCZYK,J.ZEIDLE R,D.BARANOWSKI,E.D.C
Literature Reference Citation J.MED.CHEM.,44,4284(2001)
Literature Reference DOI 10.1021/jm010922s
Molecular Weight 387.395 g/mol
Sample ID 45215
Solvent DMSO-D6