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3-Chloranyl-5-phenyl-8-[4-(trifluoromethyl)phenyl]-7H-benzo[d][2]benzazepine
SpectraBase Compound ID B0EGerWPudd
InChI InChI=1S/C27H17ClF3N/c28-20-13-14-23-22-8-4-7-21(17-9-11-19(12-10-17)27(29,30)31)25(22)16-32-26(24(23)15-20)18-5-2-1-3-6-18/h1-15H,16H2
InChIKey JQHOQUHOXRNZLU-UHFFFAOYSA-N
Mol Weight 447.89 g/mol
Molecular Formula C27H17ClF3N
Exact Mass 447.100162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NWzXtIeBZP
Name 3-Chloranyl-5-phenyl-8-[4-(trifluoromethyl)phenyl]-7H-benzo[d][2]benzazepine
Alternate Name(s) 3-Chloro-5-phenyl-8-[4-(trifluoromethyl)phenyl]-7H-benzo[d][2]benzazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17ClF3N
InChI InChI=1S/C27H17ClF3N/c28-20-13-14-23-22-8-4-7-21(17-9-11-19(12-10-17)27(29,30)31)25(22)16-32-26(24(23)15-20)18-5-2-1-3-6-18/h1-15H,16H2
InChIKey JQHOQUHOXRNZLU-UHFFFAOYSA-N
Molecular Weight 447.888 g/mol
SMILES C1(=NCc2c(-c3c1cc(cc3)Cl)cccc2-c1ccc(C(F)(F)F)cc1)c1ccccc1
SPLASH splash10-0002-0000900000-33147cc0eae09a72af7b
Source of Spectrum KC-0-2571-27
Wiley ID 784459