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2-Phenyl-6-(trifluoromethyl)-4-(4-(trifluoromethyl)phenyl)-1H-benzo[f]isoindole-1,3(2H)-dione

View entire compound with spectra: 1 MS (GC)

2-Phenyl-6-(trifluoromethyl)-4-(4-(trifluoromethyl)phenyl)-1H-benzo[f]isoindole-1,3(2H)-dione
SpectraBase Compound ID 7QQCqhzClDU
InChI InChI=1S/C26H13F6NO2/c27-25(28,29)16-9-6-14(7-10-16)21-19-13-17(26(30,31)32)11-8-15(19)12-20-22(21)24(35)33(23(20)34)18-4-2-1-3-5-18/h1-13H
InChIKey AFGBPGPARNHFHE-UHFFFAOYSA-N
Mol Weight 485.39 g/mol
Molecular Formula C26H13F6NO2
Exact Mass 485.085048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G237KM6B7WG
Name 2-Phenyl-6-(trifluoromethyl)-4-(4-(trifluoromethyl)phenyl)-1H-benzo[f]isoindole-1,3(2H)-dione
Appearance Light brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H13F6NO2
InChI InChI=1S/C26H13F6NO2/c27-25(28,29)16-9-6-14(7-10-16)21-19-13-17(26(30,31)32)11-8-15(19)12-20-22(21)24(35)33(23(20)34)18-4-2-1-3-5-18/h1-13H
InChIKey AFGBPGPARNHFHE-UHFFFAOYSA-N
Instrument Name Finnigan Trace DSQ-GC Ultra
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.231
Molecular Weight 485.385 g/mol
Reported Formula C26H13F6NO2
SMILES C1(N(C(c2c1c(c1c(c2)ccc(c1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F)=O)c1ccccc1)=O
SPLASH splash10-000i-1002900000-5fbd8c912bd3c12f6834
Source of Spectrum BJO-13-SM16-4f
Thin-Layer Chromatography Rf = 0.33 (n-hexane:EtOAc, 5:1)
Wiley ID 1848282