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1-{2,3-Bis[4-(trifluoromethyl)phenyl]-5-(4-nitrophenyl)-1H-pyrrol-1-yl}ethanone
SpectraBase Compound ID LjmHCKdZIgr
InChI InChI=1S/C26H16F6N2O3/c1-15(35)33-23(17-6-12-21(13-7-17)34(36)37)14-22(16-2-8-19(9-3-16)25(27,28)29)24(33)18-4-10-20(11-5-18)26(30,31)32/h2-14H,1H3
InChIKey YQJSXCRNOXHFQE-UHFFFAOYSA-N
Mol Weight 518.42 g/mol
Molecular Formula C26H16F6N2O3
Exact Mass 518.106511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gp6S4DdPCbz
Name 1-{2,3-Bis[4-(trifluoromethyl)phenyl]-5-(4-nitrophenyl)-1H-pyrrol-1-yl}ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H16F6N2O3
InChI InChI=1S/C26H16F6N2O3/c1-15(35)33-23(17-6-12-21(13-7-17)34(36)37)14-22(16-2-8-19(9-3-16)25(27,28)29)24(33)18-4-10-20(11-5-18)26(30,31)32/h2-14H,1H3
InChIKey YQJSXCRNOXHFQE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol303224e
Molecular Weight 518.415 g/mol
SMILES c1(c([n](C(=O)C)c(-c2ccc(cc2)[N+](=O)[O-])c1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
SPLASH splash10-004l-2000900000-52b9952bf802e20d6378
Source of Spectrum A1-15-176/SMS15-3id
Synonyms 1-(5-(4-nitrophenyl)-2,3-bis(4-(trifluoromethyl)phenyl)-1H-pyrrol-1-yl)ethanone
Wiley ID 1750953