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5-(3-Nitrophenoxy)-2-[2-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 5don3sqUzt5
InChI InChI=1S/C21H11F3N2O5/c22-21(23,24)17-6-1-2-7-18(17)25-19(27)15-9-8-14(11-16(15)20(25)28)31-13-5-3-4-12(10-13)26(29)30/h1-11H
InChIKey IUMWEXJGAUWIEQ-UHFFFAOYSA-N
Mol Weight 428.32 g/mol
Molecular Formula C21H11F3N2O5
Exact Mass 428.062006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2numjxiTcHH
Name 5-(3-Nitrophenoxy)-2-[2-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione
Alternate Name(s) 5-(3-nitrophenoxy)-2-[2-(trifluoromethyl)phenyl]isoindoline-1,3-dione 5-(3-nitrophenoxy)-2-[2-(trifluoromethyl)phenyl]isoindoline-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11F3N2O5
InChI InChI=1S/C21H11F3N2O5/c22-21(23,24)17-6-1-2-7-18(17)25-19(27)15-9-8-14(11-16(15)20(25)28)31-13-5-3-4-12(10-13)26(29)30/h1-11H
InChIKey IUMWEXJGAUWIEQ-UHFFFAOYSA-N
Molecular Weight 428.323 g/mol
SMILES c1ccc(c(N2C(c3cc(Oc4cc(N(=O)=O)ccc4)ccc3C2=O)=O)c1)C(F)(F)F
SPLASH splash10-004i-9623300000-a1474757bb5454fa4692
Wiley ID 1442972