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3,3-Dimethyl-1-[8-(2,2,2-trifluoroethoxy)naphthalen-1-yl]-3H-benzo[e]isoindole 2-Oxide
SpectraBase Compound ID IQGj2q4S571
InChI InChI=1S/C26H20F3NO2/c1-25(2)20-14-13-16-7-3-4-10-18(16)23(20)24(30(25)31)19-11-5-8-17-9-6-12-21(22(17)19)32-15-26(27,28)29/h3-14H,15H2,1-2H3
InChIKey QGZYQTHCDBUMPW-UHFFFAOYSA-N
Mol Weight 435.45 g/mol
Molecular Formula C26H20F3NO2
Exact Mass 435.144613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYNaivMOweM
Name 3,3-Dimethyl-1-[8-(2,2,2-trifluoroethoxy)naphthalen-1-yl]-3H-benzo[e]isoindole 2-Oxide
Appearance Pale-brown solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20F3NO2
InChI InChI=1S/C26H20F3NO2/c1-25(2)20-14-13-16-7-3-4-10-18(16)23(20)24(30(25)31)19-11-5-8-17-9-6-12-21(22(17)19)32-15-26(27,28)29/h3-14H,15H2,1-2H3
InChIKey QGZYQTHCDBUMPW-UHFFFAOYSA-N
Instrument Name Waters AutoSpec Premier
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02797
Molecular Weight 435.446 g/mol
Quality 129
Reported Formula C26H20NO2F3
SMILES C1=CC2=C(C3=C1C=CC=C3)C(=[N+](C2(C)C)[O-])C1=C2C(=CC=C1)C=CC=C2OCC(F)(F)F
SPLASH splash10-000i-3009200000-d4ff601d1d10ec8b82dd
Source of Spectrum JOC-88-2390-2s (DOI: 10.1021/acs.joc.2c02797)
Thin-Layer Chromatography 0.33 (EtOAc)
Wiley ID 1912644