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4-(3'-Trifluoromethylbenzyl)-3-nitropyridine
SpectraBase Compound ID LGOnZrdgQtD
InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)11-3-1-2-9(7-11)6-10-4-5-17-8-12(10)18(19)20/h1-5,7-8H,6H2
InChIKey HTPQRZKNSSMGTB-UHFFFAOYSA-N
Mol Weight 282.22 g/mol
Molecular Formula C13H9F3N2O2
Exact Mass 282.061612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YdyyScc8Hx
Name 4-(3'-Trifluoromethylbenzyl)-3-nitropyridine
Alternate Name(s) 3-Nitro-4-(3-(trifluoromethyl)benzyl)pyridine
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Formula C13H9F3N2O2
InChI InChI=1S/C13H9F3N2O2/c14-13(15,16)11-3-1-2-9(7-11)6-10-4-5-17-8-12(10)18(19)20/h1-5,7-8H,6H2
InChIKey HTPQRZKNSSMGTB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801715
Molecular Weight 282.222 g/mol
SMILES c1c(c(ccn1)Cc1cc(ccc1)C(F)(F)F)[N+](=O)[O-]
SPLASH splash10-00kr-0590000000-fd65bf02bbc38fbc757e
Source of Spectrum ASC-361-SM15-15d4
Wiley ID 1814064