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2-(3'-Trifluoromethylbenzyl)-5-nitrobenzonitrile
SpectraBase Compound ID 26se4mn017l
InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)13-3-1-2-10(7-13)6-11-4-5-14(20(21)22)8-12(11)9-19/h1-5,7-8H,6H2
InChIKey PYTNOQHTQBRFAQ-UHFFFAOYSA-N
Mol Weight 306.24 g/mol
Molecular Formula C15H9F3N2O2
Exact Mass 306.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21uKUbPKAMz
Name 2-(3'-Trifluoromethylbenzyl)-5-nitrobenzonitrile
Alternate Name(s) 5-Nitro-2-(3-(trifluoromethyl)benzyl)benzonitrile
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Formula C15H9F3N2O2
InChI InChI=1S/C15H9F3N2O2/c16-15(17,18)13-3-1-2-10(7-13)6-11-4-5-14(20(21)22)8-12(11)9-19/h1-5,7-8H,6H2
InChIKey PYTNOQHTQBRFAQ-UHFFFAOYSA-N
Molecular Weight 306.244 g/mol
SMILES C(c1c(ccc(c1)[N+](=O)[O-])Cc1cc(ccc1)C(F)(F)F)#N
SPLASH splash10-052o-0393000000-e4b3b07935da9b99bfac
Source of Spectrum ASC-361-SM10-10d6
Wiley ID 1814050