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2-[1-(4-ACETOXYPHENYL)-9H-BETA-CARBOLIN-3-YL]-4-(3-NITROBENZYLIDENE)-4H-OXAZOL-5-ONE
SpectraBase Compound ID H98G0I34mWk
InChI InChI=1S/C29H18N4O6/c1-16(34)38-20-11-9-18(10-12-20)26-27-22(21-7-2-3-8-23(21)30-27)15-24(31-26)28-32-25(29(35)39-28)14-17-5-4-6-19(13-17)33(36)37/h2-15,30H,1H3/b25-14-
InChIKey JXZPELIEQCWSSE-QFEZKATASA-N
Mol Weight 518.49 g/mol
Molecular Formula C29H18N4O6
Exact Mass 518.122634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GLxzMwuYo
Name 2-[1-(4-ACETOXYPHENYL)-9H-BETA-CARBOLIN-3-YL]-4-(3-NITROBENZYLIDENE)-4H-OXAZOL-5-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H18N4O6
InChI InChI=1S/C29H18N4O6/c1-16(34)38-20-11-9-18(10-12-20)26-27-22(21-7-2-3-8-23(21)30-27)15-24(31-26)28-32-25(29(35)39-28)14-17-5-4-6-19(13-17)33(36)37/h2-15,30H,1H3/b25-14-
InChIKey JXZPELIEQCWSSE-QFEZKATASA-N
Literature Reference Author F.C.SAVARIZ,M.A.FOGLIO,J.E.D.CARVALHO,A.L.T.G.RUIZ,M.C.T.DUA RTE,M.F.D.ROSA,E.MEY
Literature Reference Citation MOLECULES,17,6100(2012)
Literature Reference DOI 10.3390/molecules17056100
Molecular Weight 518.485 g/mol
Sample ID 848
Solvent DMSO-D6