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(3E)-4-{2-[5-(2,4,6-Trichlorophenyl)-2-furyl]-1H-indol-3-yl}but-3-en-2-one
SpectraBase Compound ID CU2n39gZn6i
InChI InChI=1S/C22H14Cl3NO2/c1-12(27)6-7-15-14-4-2-3-5-18(14)26-22(15)20-9-8-19(28-20)21-16(24)10-13(23)11-17(21)25/h2-11,26H,1H3/b7-6+
InChIKey DPIWDAUSVCDCNM-VOTSOKGWSA-N
Mol Weight 430.72 g/mol
Molecular Formula C22H14Cl3NO2
Exact Mass 429.009012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83NkGCHkOGs
Name (3E)-4-{2-[5-(2,4,6-Trichlorophenyl)-2-furyl]-1H-indol-3-yl}but-3-en-2-one
Alternate Name(s) (E)-4-[2-[5-(2,4,6-trichlorophenyl)-2-furanyl]-1H-indol-3-yl]-3-buten-2-one (E)-4-[2-[5-(2,4,6-trichlorophenyl)furan-2-yl]-1H-indol-3-yl]but-3-en-2-one (E)-4-[2-[5-[2,4,6-tris(chloranyl)phenyl]furan-2-yl]-1H-indol-3-yl]but-3-en-2-one
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Formula C22H14Cl3NO2
InChI InChI=1S/C22H14Cl3NO2/c1-12(27)6-7-15-14-4-2-3-5-18(14)26-22(15)20-9-8-19(28-20)21-16(24)10-13(23)11-17(21)25/h2-11,26H,1H3/b7-6+
InChIKey DPIWDAUSVCDCNM-VOTSOKGWSA-N
Molecular Weight 430.718 g/mol
SMILES [nH]1c2ccccc2c(c1-c1oc(-c2c(cc(cc2Cl)Cl)Cl)cc1)\C=C\C(=O)C
SPLASH splash10-0a4i-1293500000-dbf4a289c5dff0297a10
Source of Spectrum U1-2010-924-3p
Wiley ID 1663422