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3-((1-(pentafluoro-lamda-6-sulfaneyl)-2-phenylpropan-2-yl)oxy)propanenitrile
SpectraBase Compound ID Jb61hX4b6px
InChI InChI=1S/C12H14F5NOS/c1-12(19-9-5-8-18,10-20(13,14,15,16)17)11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3
InChIKey LAWJNYBXYWCANP-UHFFFAOYSA-N
Mol Weight 315.3 g/mol
Molecular Formula C12H14F5NOS
Exact Mass 315.071626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0zfBi6AQBF
Name 3-((1-(pentafluoro-lamda-6-sulfaneyl)-2-phenylpropan-2-yl)oxy)propanenitrile
Appearance Colorless Solid
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Formula C12H14F5NOS
InChI InChI=1S/C12H14F5NOS/c1-12(19-9-5-8-18,10-20(13,14,15,16)17)11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3
InChIKey LAWJNYBXYWCANP-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-5975B VL
Ionization Type EI
Literature Reference DOI 10.1002/anie.201910830
Molecular Weight 315.302 g/mol
Reported Formula C12H14F5NOS
SMILES c1c(cccc1)C(C)(OCCC#N)CS(F)(F)(F)(F)F
SPLASH splash10-00di-3900000000-e62845adec81ec993751
Source of Spectrum ACI-59-SM156-21
Wiley ID 1856793