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3,7-Bis(2-(methoxycarbonyl)ethyl)-2,8-dimethyl-1-formyl-9-(trifluoroacetyl)dipyrromethane
SpectraBase Compound ID 7Ne9UDDZlGd
InChI InChI=1S/C22H25F3N2O6/c1-11-13(5-7-18(29)32-3)15(26-17(11)10-28)9-16-14(6-8-19(30)33-4)12(2)20(27-16)21(31)22(23,24)25/h10,26-27H,5-9H2,1-4H3
InChIKey BUGRIVKIOSTERX-UHFFFAOYSA-N
Mol Weight 470.45 g/mol
Molecular Formula C22H25F3N2O6
Exact Mass 470.166471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsBst2cu0VM
Name 3,7-Bis(2-(methoxycarbonyl)ethyl)-2,8-dimethyl-1-formyl-9-(trifluoroacetyl)dipyrromethane
Alternate Name(s) Methyl 3-[2-{[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl}-4-methyl-5-(trifluoroacetyl)-1H-pyrrol-3-yl]propanoate 3-[5-formyl-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-(2,2,2-trifluoro-1-oxoethyl)-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid methyl ester Methyl 3-[5-formyl-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-(2,2,2-trifluoroacetyl)-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate Methyl 3-[5-formyl-2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-(2,2,2-trifluoroacetyl)-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate Methyl 3-[5-methanoyl-2-[[3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
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Formula C22H25F3N2O6
InChI InChI=1S/C22H25F3N2O6/c1-11-13(5-7-18(29)32-3)15(26-17(11)10-28)9-16-14(6-8-19(30)33-4)12(2)20(27-16)21(31)22(23,24)25/h10,26-27H,5-9H2,1-4H3
InChIKey BUGRIVKIOSTERX-UHFFFAOYSA-N
Molecular Weight 470.445 g/mol
SMILES [nH]1c(Cc2c(c(C)c([nH]2)C=O)CCC(=O)OC)c(c(c1C(C(F)(F)F)=O)C)CCC(=O)OC
SPLASH splash10-00di-0203900000-dcb101ec235b23a34d4e
Source of Spectrum J-61-8516-50
Wiley ID 1392743