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3,3,4,4,5,5,6,6,6-nonafluoro-1-iodo-1-phenyl-1-hexene
SpectraBase Compound ID HhvHhfR6yH6
InChI InChI=1S/C12H6F9I/c13-9(14,6-8(22)7-4-2-1-3-5-7)10(15,16)11(17,18)12(19,20)21/h1-6H
InChIKey VRVUWOCHHTUQTI-UHFFFAOYSA-N
Mol Weight 448.07 g/mol
Molecular Formula C12H6F9I
Exact Mass 447.937049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AefePQrBbZ6
Name 3,3,4,4,5,5,6,6,6-nonafluoro-1-iodo-1-phenyl-1-hexene
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F9I
InChI InChI=1S/C12H6F9I/c13-9(14,6-8(22)7-4-2-1-3-5-7)10(15,16)11(17,18)12(19,20)21/h1-6H
InChIKey VRVUWOCHHTUQTI-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5050
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p009.091
Molecular Weight 448.070 g/mol
Reported Formula C12H6F9I
SMILES C(C(C(C(C=C(I)c1ccccc1)(F)F)(F)F)(F)F)(F)(F)F
SPLASH splash10-0ue9-2901000000-6fc2c4b28832e6cc730d
Sample Comments E/Z = 15:1
Source of Spectrum ARK-2015-197-11
Wiley ID 1843384