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Ethyl [3-(4-Cyanophenyl)-2,5-diphenyl-1H-pyrrol-1-yl]acetate
SpectraBase Compound ID 4WGDklD9uol
InChI InChI=1S/C27H22N2O2/c1-2-31-26(30)19-29-25(22-9-5-3-6-10-22)17-24(21-15-13-20(18-28)14-16-21)27(29)23-11-7-4-8-12-23/h3-17H,2,19H2,1H3
InChIKey DOSXXWPIKBXJEF-UHFFFAOYSA-N
Mol Weight 406.49 g/mol
Molecular Formula C27H22N2O2
Exact Mass 406.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDTdUOwxAm
Name Ethyl [3-(4-Cyanophenyl)-2,5-diphenyl-1H-pyrrol-1-yl]acetate
Comments Less than 3 mono-isotopic peaks
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Formula C27H22N2O2
InChI InChI=1S/C27H22N2O2/c1-2-31-26(30)19-29-25(22-9-5-3-6-10-22)17-24(21-15-13-20(18-28)14-16-21)27(29)23-11-7-4-8-12-23/h3-17H,2,19H2,1H3
InChIKey DOSXXWPIKBXJEF-UHFFFAOYSA-N
Molecular Weight 406.485 g/mol
SMILES C(C[n]1c(c(cc1-c1ccccc1)-c1ccc(cc1)C#N)-c1ccccc1)(=O)OCC
SPLASH splash10-0a4i-0002900000-afe560fc74b62aaed94e
Source of Spectrum CV-2004-2405-8
Wiley ID 1611575