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4,4,4-Trifluoro-3-(4-(trifluoromethoxy)phenyl)butanenitrile
SpectraBase Compound ID CZ7XF1mJ3rk
InChI InChI=1S/C11H7F6NO/c12-10(13,14)9(5-6-18)7-1-3-8(4-2-7)19-11(15,16)17/h1-4,9H,5H2
InChIKey LISABJJOJCQXPJ-UHFFFAOYSA-N
Mol Weight 283.17 g/mol
Molecular Formula C11H7F6NO
Exact Mass 283.043183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mjgdnK3fyz
Name 4,4,4-Trifluoro-3-(4-(trifluoromethoxy)phenyl)butanenitrile
Appearance Yellow oil
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Formula C11H7F6NO
InChI InChI=1S/C11H7F6NO/c12-10(13,14)9(5-6-18)7-1-3-8(4-2-7)19-11(15,16)17/h1-4,9H,5H2
InChIKey LISABJJOJCQXPJ-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 283.173 g/mol
Reported Formula C11H7F6NO
SMILES c1cc(ccc1OC(F)(F)F)C(C(F)(F)F)CC#N
SPLASH splash10-0006-0390000000-bad7ffadebcf5929bb12
Source of Spectrum A1-23-SM35-2f
Wiley ID 1870234