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1H-isoindole-1,3(2H)-dione, 2-[5-nitro-2-[(trifluoromethyl)thio]phenyl]-
SpectraBase Compound ID ExKn77RAo5c
InChI InChI=1S/C15H7F3N2O4S/c16-15(17,18)25-12-6-5-8(20(23)24)7-11(12)19-13(21)9-3-1-2-4-10(9)14(19)22/h1-7H
InChIKey FIFKYAGTTMTTSR-UHFFFAOYSA-N
Mol Weight 368.29 g/mol
Molecular Formula C15H7F3N2O4S
Exact Mass 368.007862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 600kRdYaGDH
Name 1H-isoindole-1,3(2H)-dione, 2-[5-nitro-2-[(trifluoromethyl)thio]phenyl]-
Alternate Name(s) 2-(5-nitro-2-((trifluoromethyl)thio)phenyl)isoindoline-1,3-dione 2-{5-nitro-2-[(trifluoromethyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione 2-[5-nitro-2-(trifluoromethylthio)phenyl]isoindole-1,3-dione 2-[5-nitro-2-(trifluoromethylsulfanyl)phenyl]isoindoline-1,3-dione 2-[5-nitro-2-(trifluoromethylsulfanyl)phenyl]isoindole-1,3-dione
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Formula C15H7F3N2O4S
InChI InChI=1S/C15H7F3N2O4S/c16-15(17,18)25-12-6-5-8(20(23)24)7-11(12)19-13(21)9-3-1-2-4-10(9)14(19)22/h1-7H
InChIKey FIFKYAGTTMTTSR-UHFFFAOYSA-N
Molecular Weight 368.286 g/mol
SMILES C(F)(F)(F)Sc1ccc(cc1N1C(=O)c2ccccc2C1=O)[N+]([O-])=O
SPLASH splash10-014i-2292000000-ef3a70fad08c404cc9e6
Source of Spectrum JX-2015-3-1452
Wiley ID 1724940