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2',4',6'-Trimethylphenyl 2,3-dihydro-5-(nitrophenyl)-3-[(Z)-(4'"-nitrophenyl)(2'',4'',6"-trimethylphenyl)methylidene]furan-4-carboxylate
SpectraBase Compound ID tRllfZmhPI
InChI InChI=1S/C36H30N2O8/c1-19-15-21(3)29(22(4)16-19)30(25-11-13-26(14-12-25)37(41)42)31-32(36(40)45-33-23(5)17-20(2)18-24(33)6)34(46-35(31)39)27-9-7-8-10-28(27)38(43)44/h7-18H,1-6H3/b31-30-
InChIKey SMWBIFWIEAEYNG-KTMFPKCZSA-N
Mol Weight 618.6 g/mol
Molecular Formula C36H30N2O8
Exact Mass 618.200216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4F4ZSCCF3O
Name 2',4',6'-Trimethylphenyl 2,3-dihydro-5-(nitrophenyl)-3-[(Z)-(4'"-nitrophenyl)(2'',4'',6"-trimethylphenyl)methylidene]furan-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C36H30N2O8
InChI InChI=1S/C36H30N2O8/c1-19-15-21(3)29(22(4)16-19)30(25-11-13-26(14-12-25)37(41)42)31-32(36(40)45-33-23(5)17-20(2)18-24(33)6)34(46-35(31)39)27-9-7-8-10-28(27)38(43)44/h7-18H,1-6H3/b31-30-
InChIKey SMWBIFWIEAEYNG-KTMFPKCZSA-N
Molecular Weight 618.642 g/mol
SMILES C=1(\C(C(=O)OC1c1c(N(=O)=O)cccc1)=C\(c1c(cc(cc1C)C)C)c1ccc(N(=O)=O)cc1)C(Oc1c(cc(cc1C)C)C)=O
SPLASH splash10-001i-0000900000-010e839d61c3bc9d7edb
Source of Spectrum H-84-3572-0
Synonyms 2',4',6'-Trimethylphenyl 2,3-dihydro-5-(nitrophenyl)-3-[(Z)-(4'''-nitrophenyl)(2'',4'',6''-trimethylphenyl)methylidene]furan-4-carboxylate mesityl (4Z)-4-[mesityl(4-nitrophenyl)methylene]-2-(2-nitrophenyl)-5-oxo-4,5-dihydro-3-furancarboxylate
Wiley ID 847909