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1,1,2,2,5,5,6,6-octahydroperfluorooctyl thiocyanate
SpectraBase Compound ID 2QgJpDEl1rz
InChI InChI=1S/C9H8F9NS/c10-6(11,7(12,13)3-4-20-5-19)1-2-8(14,15)9(16,17)18/h1-4H2
InChIKey KBAPZRSVDDYQTD-UHFFFAOYSA-N
Mol Weight 333.22 g/mol
Molecular Formula C9H8F9NS
Exact Mass 333.023374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaJuAnldBCe
Name 1,1,2,2,5,5,6,6-octahydroperfluorooctyl thiocyanate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8F9NS
InChI InChI=1S/C9H8F9NS/c10-6(11,7(12,13)3-4-20-5-19)1-2-8(14,15)9(16,17)18/h1-4H2
InChIKey KBAPZRSVDDYQTD-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 333.216 g/mol
SMILES C(SCCC(C(CCC(F)(F)C(F)(F)F)(F)F)(F)F)#N
SPLASH splash10-0059-5937000000-fa2614b5bb7ca6af6577
Source of Spectrum US8212064B2
Wiley ID 1845288