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5-(4-Bromophenyl)-3-(trifluoromethyl)pent-4-ynenitrile
SpectraBase Compound ID Ezdsf0xMdS0
InChI InChI=1S/C12H7BrF3N/c13-11-5-2-9(3-6-11)1-4-10(7-8-17)12(14,15)16/h2-3,5-6,10H,7H2
InChIKey UHFBARIQXAJFNJ-UHFFFAOYSA-N
Mol Weight 302.09 g/mol
Molecular Formula C12H7BrF3N
Exact Mass 300.971397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F27Msvc4Ro1
Name 5-(4-Bromophenyl)-3-(trifluoromethyl)pent-4-ynenitrile
Appearance Yellow oil
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Formula C12H7BrF3N
InChI InChI=1S/C12H7BrF3N/c13-11-5-2-9(3-6-11)1-4-10(7-8-17)12(14,15)16/h2-3,5-6,10H,7H2
InChIKey UHFBARIQXAJFNJ-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 302.094 g/mol
Reported Formula C12H7BrF3N
SMILES c1cc(C#CC(C(F)(F)F)CC#N)ccc1Br
SPLASH splash10-0ik9-0296000000-ee9008af25a19ce94ee9
Source of Spectrum A1-23-SM89-4n
Wiley ID 1870258