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Ethyl 1-(2-bromo-4-(trifluoromethyl)phenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID LRtRbmM56KB
InChI InChI=1S/C21H17BrF3NO2/c1-3-28-20(27)16-12-19(14-7-5-4-6-8-14)26(13(16)2)18-10-9-15(11-17(18)22)21(23,24)25/h4-12H,3H2,1-2H3
InChIKey JMOYOZCSEXLKPT-UHFFFAOYSA-N
Mol Weight 452.27 g/mol
Molecular Formula C21H17BrF3NO2
Exact Mass 451.039476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46jnq4ngPHv
Name Ethyl 1-(2-bromo-4-(trifluoromethyl)phenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17BrF3NO2
InChI InChI=1S/C21H17BrF3NO2/c1-3-28-20(27)16-12-19(14-7-5-4-6-8-14)26(13(16)2)18-10-9-15(11-17(18)22)21(23,24)25/h4-12H,3H2,1-2H3
InChIKey JMOYOZCSEXLKPT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200600398
Molecular Weight 452.271 g/mol
SMILES c1([n](c(c(c1)C(=O)OCC)C)-c1ccc(cc1Br)C(F)(F)F)-c1ccccc1
SPLASH splash10-0fba-0160900000-c3bf124e35a5a226e621
Source of Spectrum CAJ-2-426-10f
Wiley ID 1774909