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3-(3-Aminophenyl)-4,4,4-trifluorobutanenitrile
SpectraBase Compound ID L6Wny6QfTH5
InChI InChI=1S/C10H9F3N2/c11-10(12,13)9(4-5-14)7-2-1-3-8(15)6-7/h1-3,6,9H,4,15H2
InChIKey LAFYKOVALMHPEC-UHFFFAOYSA-N
Mol Weight 214.19 g/mol
Molecular Formula C10H9F3N2
Exact Mass 214.071783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyOiSFAaNXK
Name 3-(3-Aminophenyl)-4,4,4-trifluorobutanenitrile
Appearance Yellow oil
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Formula C10H9F3N2
InChI InChI=1S/C10H9F3N2/c11-10(12,13)9(4-5-14)7-2-1-3-8(15)6-7/h1-3,6,9H,4,15H2
InChIKey LAFYKOVALMHPEC-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 214.191 g/mol
Reported Formula C10H9F3N2
SMILES Nc1cccc(C(CC#N)C(F)(F)F)c1
SPLASH splash10-03k9-0950000000-724e7cdaca7c3cbb9cb6
Source of Spectrum A1-23-SM61-2t
Wiley ID 1870247