For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodo-1-phenyl-1-octene
SpectraBase Compound ID 9dSOSaO2rPr
InChI InChI=1S/C14H6F13I/c15-9(16,6-8(28)7-4-2-1-3-5-7)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-6H
InChIKey KYNCXBOOGXBAEN-UHFFFAOYSA-N
Mol Weight 548.09 g/mol
Molecular Formula C14H6F13I
Exact Mass 547.930661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CREcdaevIGM
Name 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodo-1-phenyl-1-octene
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H6F13I
InChI InChI=1S/C14H6F13I/c15-9(16,6-8(28)7-4-2-1-3-5-7)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-6H
InChIKey KYNCXBOOGXBAEN-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5050
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.091
Molecular Weight 548.086 g/mol
Reported Formula C14H6F13I
SMILES C(C(C(C(C=C(I)c1ccccc1)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-0udi-3900100000-5cde4939384030079fec
Sample Comments E/Z = 17:1
Source of Spectrum ARK-2015-198-12
Wiley ID 1843385