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4-(4-CHLOROPHENYL)-2-METHYL-1,3-DIOXO-3A,4,11A,11B-TETRAHYDROPYRROLO-[3,4-C]-XANTHONE
SpectraBase Compound ID CjoooK9MzGn
InChI InChI=1S/C22H16ClNO4/c1-24-21(26)17-14(11-6-8-12(23)9-7-11)10-15-19(25)13-4-2-3-5-16(13)28-20(15)18(17)22(24)27/h2-10,14,17-18,20H,1H3/t14-,17-,18-,20+/m1/s1
InChIKey LTYOQNZVTWAPRF-ZESCBINXSA-N
Mol Weight 393.83 g/mol
Molecular Formula C22H16ClNO4
Exact Mass 393.076786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78EZngxecm3
Name 4-(4-CHLOROPHENYL)-2-METHYL-1,3-DIOXO-3A,4,11A,11B-TETRAHYDROPYRROLO-[3,4-C]-XANTHONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16ClNO4
InChI InChI=1S/C22H16ClNO4/c1-24-21(26)17-14(11-6-8-12(23)9-7-11)10-15-19(25)13-4-2-3-5-16(13)28-20(15)18(17)22(24)27/h2-10,14,17-18,20H,1H3/t14-,17-,18-,20+/m1/s1
InChIKey LTYOQNZVTWAPRF-ZESCBINXSA-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 393.826 g/mol
Sample ID 29743
Solvent CDCl3