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3,3-Bis(pentafluoroethyl)-4,4,4-trifluoro-butanenitrile

View entire compound with spectra: 1 MS (GC)

3,3-Bis(pentafluoroethyl)-4,4,4-trifluoro-butanenitrile
SpectraBase Compound ID LDWb4bovCl0
InChI InChI=1S/C8H2F13N/c9-4(10,7(16,17)18)3(1-2-22,6(13,14)15)5(11,12)8(19,20)21/h1H2
InChIKey IYERLVVSTBLMDE-UHFFFAOYSA-N
Mol Weight 359.09 g/mol
Molecular Formula C8H2F13N
Exact Mass 358.997965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISFdVEks2ME
Name 3,3-Bis(pentafluoroethyl)-4,4,4-trifluoro-butanenitrile
Alternate Name(s) 4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pentanenitrile
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Formula C8H2F13N
InChI InChI=1S/C8H2F13N/c9-4(10,7(16,17)18)3(1-2-22,6(13,14)15)5(11,12)8(19,20)21/h1H2
InChIKey IYERLVVSTBLMDE-UHFFFAOYSA-N
Molecular Weight 359.090 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(C(F)(F)F)CC#N
SPLASH splash10-014i-6920000000-c11be25450fa9ac3800f
Source of Spectrum IC-1025-0-0
Wiley ID 1347605