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4-Nitro-7-(4-(trifluoromethyl)phenylthio)benzo[c][1,2,5]oxadiazole
SpectraBase Compound ID 1ElG4mkatL2
InChI InChI=1S/C13H6F3N3O3S/c14-13(15,16)7-1-3-8(4-2-7)23-10-6-5-9(19(20)21)11-12(10)18-22-17-11/h1-6H
InChIKey AYMDSJXMUBARSA-UHFFFAOYSA-N
Mol Weight 341.26 g/mol
Molecular Formula C13H6F3N3O3S
Exact Mass 341.008197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Yd1Vg4cIU7
Name 4-Nitro-7-(4-(trifluoromethyl)phenylthio)benzo[c][1,2,5]oxadiazole
Appearance Yellow solid
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Formula C13H6F3N3O3S
InChI InChI=1S/C13H6F3N3O3S/c14-13(15,16)7-1-3-8(4-2-7)23-10-6-5-9(19(20)21)11-12(10)18-22-17-11/h1-6H
InChIKey AYMDSJXMUBARSA-UHFFFAOYSA-N
Instrument Name Thermo TRACE
Ionization Type EI
Molecular Weight 341.264 g/mol
Reported Formula C13H6F3N3O3S
SMILES c1cc(c2c(c1[N+](=O)[O-])non2)Sc1ccc(cc1)C(F)(F)F
SPLASH splash10-00kg-0975000000-1a1147f8bde627b79ee4
Source of Spectrum EP2190290A2
Wiley ID 1841876