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4,6-dimethoxy-3-phenyl-7-(2,2,2-trichloro-1-oxoethyl)-1H-indole-2-carboxaldehyde
SpectraBase Compound ID 3TWhLiqfNaq
InChI InChI=1S/C19H14Cl3NO4/c1-26-12-8-13(27-2)16(18(25)19(20,21)22)17-15(12)14(11(9-24)23-17)10-6-4-3-5-7-10/h3-9,23H,1-2H3
InChIKey AFLLJYBWGCOZPV-UHFFFAOYSA-N
Mol Weight 426.68 g/mol
Molecular Formula C19H14Cl3NO4
Exact Mass 424.998841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRf76mc5JQe
Name 4,6-dimethoxy-3-phenyl-7-(2,2,2-trichloro-1-oxoethyl)-1H-indole-2-carboxaldehyde
Alternate Name(s) 4,6-dimethoxy-3-phenyl-7-(2,2,2-trichloroacetyl)-1H-indole-2-carbaldehyde 4,6-dimethoxy-3-phenyl-7-[2,2,2-tris(chloranyl)ethanoyl]-1H-indole-2-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C19H14Cl3NO4
InChI InChI=1S/C19H14Cl3NO4/c1-26-12-8-13(27-2)16(18(25)19(20,21)22)17-15(12)14(11(9-24)23-17)10-6-4-3-5-7-10/h3-9,23H,1-2H3
InChIKey AFLLJYBWGCOZPV-UHFFFAOYSA-N
Molecular Weight 426.683 g/mol
SMILES [nH]1c2c(c(cc(c2c(c1C=O)-c1ccccc1)OC)OC)C(=O)C(Cl)(Cl)Cl
SPLASH splash10-0a4i-0009000000-25d14847c5c9a5d5944b
Source of Spectrum KC-61-10498-30
Wiley ID 1631045