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4-(4-ETHOXYPHENYL)-2-METHYL-1,3-DIOXO-3A,4,11A,11B-TETRAHYDROPYRROLO-[3,4-C]-XANTHONE
SpectraBase Compound ID 3V0esfEbQ5I
InChI InChI=1S/C24H21NO5/c1-3-29-14-10-8-13(9-11-14)16-12-17-21(26)15-6-4-5-7-18(15)30-22(17)20-19(16)23(27)25(2)24(20)28/h4-12,16,19-20,22H,3H2,1-2H3/t16-,19-,20-,22+/m1/s1
InChIKey OFVCHNIXUITYSE-ZEFBCVDJSA-N
Mol Weight 403.43 g/mol
Molecular Formula C24H21NO5
Exact Mass 403.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8P9C6w5OeVc
Name 4-(4-ETHOXYPHENYL)-2-METHYL-1,3-DIOXO-3A,4,11A,11B-TETRAHYDROPYRROLO-[3,4-C]-XANTHONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H21NO5
InChI InChI=1S/C24H21NO5/c1-3-29-14-10-8-13(9-11-14)16-12-17-21(26)15-6-4-5-7-18(15)30-22(17)20-19(16)23(27)25(2)24(20)28/h4-12,16,19-20,22H,3H2,1-2H3/t16-,19-,20-,22+/m1/s1
InChIKey OFVCHNIXUITYSE-ZEFBCVDJSA-N
Literature Reference Author D.C.G.A.PINTO,A.M.S.SILVA,C.M.BRITA,A.SANDULACHE,J.R.CARRILL O,P.PRIETO,A.DIAZ-OR
Literature Reference Citation EUR.J.ORG.CHEM.,2973(2005)
Literature Reference DOI 10.1002/ejoc.200500073
Molecular Weight 403.434 g/mol
Sample ID 29744
Solvent CDCl3