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4,6-Dimethoxy-3-(4-bromophenyl)-7-trifluoroacetylindole-2-carbaldehyde
SpectraBase Compound ID 3aVoL7CYo3d
InChI InChI=1S/C19H13BrF3NO4/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 JJSKRQGAXCGDAI-UHFFFAOYSA-N
Mol Weight 456.22 g/mol
Molecular Formula C19H13BrF3NO4
Exact Mass 454.998005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lao7PE9yaIf
Name 4,6-Dimethoxy-3-(4-bromophenyl)-7-trifluoroacetylindole-2-carbaldehyde
Alternate Name(s) 3-(4-bromophenyl)-4,6-dimethoxy-7-(trifluoroacetyl)-1H-indole-2-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C19H13BrF3NO4
InChI InChI=1S/C19H13BrF3NO4/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 JJSKRQGAXCGDAI-UHFFFAOYSA-N
Molecular Weight 456.215 g/mol
SMILES [nH]1c2c(c(cc(c2c(c1C=O)-c1ccc(cc1)Br)OC)OC)C(=O)C(F)(F)F
SPLASH splash10-0a4r-0008900000-d246046263c2202cd4e0
Source of Spectrum KC-61-10498-29
Wiley ID 1631046