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(E)-3-(p-tolyl)-2-(5-(trifluoromethyl)-1H-indazole-1-carbonyl)acrylonitrile
SpectraBase Compound ID D3RhBjbIdSM
InChI InChI=1S/C19H12F3N3O/c1-12-2-4-13(5-3-12)8-14(10-23)18(26)25-17-7-6-16(19(20,21)22)9-15(17)11-24-25/h2-9,11H,1H3/b14-8+
InChIKey IVLNMSPQWVVHEO-RIYZIHGNSA-N
Mol Weight 355.32 g/mol
Molecular Formula C19H12F3N3O
Exact Mass 355.093247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EX6A9EWsy2
Name (E)-3-(p-tolyl)-2-(5-(trifluoromethyl)-1H-indazole-1-carbonyl)acrylonitrile
Appearance Yellow crystals
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Formula C19H12F3N3O
InChI InChI=1S/C19H12F3N3O/c1-12-2-4-13(5-3-12)8-14(10-23)18(26)25-17-7-6-16(19(20,21)22)9-15(17)11-24-25/h2-9,11H,1H3/b14-8+
InChIKey IVLNMSPQWVVHEO-RIYZIHGNSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2828
Molecular Weight 355.320 g/mol
SMILES c1(ccc(cc1)C)\C=C/(C#N)C(=O)[n]1ncc2c1ccc(c2)C(F)(F)F
SPLASH splash10-014j-3691000000-50cc3fc5857913149fe9
Source of Spectrum Y-54-2373-7a
Wiley ID 1878456