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4,4,4-Trifluoro-3-(naphthalen-2-yl)butanenitrile
SpectraBase Compound ID kObRU1H9ya
InChI InChI=1S/C14H10F3N/c15-14(16,17)13(7-8-18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7H2
InChIKey OXLGEXKXDUNGFH-UHFFFAOYSA-N
Mol Weight 249.24 g/mol
Molecular Formula C14H10F3N
Exact Mass 249.076534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LQGe9sPILR
Name 4,4,4-Trifluoro-3-(naphthalen-2-yl)butanenitrile
Appearance White solid
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Formula C14H10F3N
InChI InChI=1S/C14H10F3N/c15-14(16,17)13(7-8-18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7H2
InChIKey OXLGEXKXDUNGFH-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 249.236 g/mol
Reported Formula C14H10F3N
SMILES c12c(ccc(C(CC#N)C(F)(F)F)c2)cccc1
SPLASH splash10-0a4j-0390000000-3c6cc3202ec618c35135
Source of Spectrum A1-23-SM45-2k
Wiley ID 1870239