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3-(4-bromophenyl)-4,6-dimethoxy-7-(2,2,2-trichloro-1-oxoethyl)-1H-indole-2-carboxaldehyde
SpectraBase Compound ID L4Ta4x47UPt
InChI InChI=1S/C19H13BrCl3NO4/c1-27-12-7-13(28-2)16(18(26)19(21,22)23)17-15(12)14(11(8-25)24-17)9-3-5-10(20)6-4-9/h3-8,24H,1-2H3
InChIKey BAOOWDCLNNHIQT-UHFFFAOYSA-N
Mol Weight 505.58 g/mol
Molecular Formula C19H13BrCl3NO4
Exact Mass 502.909354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IASBY6yVdq
Name 3-(4-bromophenyl)-4,6-dimethoxy-7-(2,2,2-trichloro-1-oxoethyl)-1H-indole-2-carboxaldehyde
Alternate Name(s) 3-(4-bromophenyl)-4,6-dimethoxy-7-(2,2,2-trichloroacetyl)-1H-indole-2-carbaldehyde 3-(4-bromophenyl)-4,6-dimethoxy-7-[2,2,2-tris(chloranyl)ethanoyl]-1H-indole-2-carbaldehyde
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Formula C19H13BrCl3NO4
InChI InChI=1S/C19H13BrCl3NO4/c1-27-12-7-13(28-2)16(18(26)19(21,22)23)17-15(12)14(11(8-25)24-17)9-3-5-10(20)6-4-9/h3-8,24H,1-2H3
InChIKey BAOOWDCLNNHIQT-UHFFFAOYSA-N
Molecular Weight 505.579 g/mol
SMILES [nH]1c2c(c(cc(c2c(c1C=O)-c1ccc(cc1)Br)OC)OC)C(=O)C(Cl)(Cl)Cl
SPLASH splash10-000i-0009000000-091c7feadc8afd76792b
Source of Spectrum KC-61-10498-31
Wiley ID 1631044