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4-(4-NITROPHENYL)-2-PARA-TOLYL-3,4-DIHYDRO-2H-BENZO-[H]-CHROMENE-5,6-DIONE;SYN/ANTI-ISOMERS
SpectraBase Compound ID DCQrBUJBcLK
InChI InChI=1S/2C26H19NO5/c2*1-15-6-8-17(9-7-15)22-14-21(16-10-12-18(13-11-16)27(30)31)23-25(29)24(28)19-4-2-3-5-20(19)26(23)32-22/h2*2-13,21-22H,14H2,1H3/t21-,22+;21-,22-/m11/s1
InChIKey NHQMHTJRCSHKQD-KYFBOLLGSA-N
Mol Weight 850.88 g/mol
Molecular Formula C52H38N2O10
Exact Mass 850.252645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5hGuGJhkE1e
Name 4-(4-NITROPHENYL)-2-PARA-TOLYL-3,4-DIHYDRO-2H-BENZO-[H]-CHROMENE-5,6-DIONE;SYN/ANTI-ISOMERS
Compound Number 11D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H38N2O10
InChI InChI=1S/2C26H19NO5/c2*1-15-6-8-17(9-7-15)22-14-21(16-10-12-18(13-11-16)27(30)31)23-25(29)24(28)19-4-2-3-5-20(19)26(23)32-22/h2*2-13,21-22H,14H2,1H3/t21-,22+;21-,22-/m11/s1
InChIKey NHQMHTJRCSHKQD-KYFBOLLGSA-N
Literature Reference Author F.D.C.D.SILVA,S.B.FERREIRA,C.R.KAISER,A.C.PINTO,V.F.FERREIRA
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,1478(2009)
Literature Reference DOI 10.1590/s0103-50532009000800014
Molecular Weight 850.881 g/mol
Source File Reference UWBT6252