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(E)-2-(n-butyl)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-1-phenyl-2-octen-1-ol

View entire compound with spectra: 1 MS (GC)

(E)-2-(n-butyl)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-1-phenyl-2-octen-1-ol
SpectraBase Compound ID DJwUpOyVQAu
InChI InChI=1S/C18H18F9IO/c1-2-3-9-12(14(29)11-7-5-4-6-8-11)13(28)10-15(19,20)16(21,22)17(23,24)18(25,26)27/h4-8,14,29H,2-3,9-10H2,1H3/b13-12+
InChIKey RBZFSHVSIVOYTP-OUKQBFOZSA-N
Mol Weight 548.23 g/mol
Molecular Formula C18H18F9IO
Exact Mass 548.025864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQTwt2089VU
Name (E)-2-(n-butyl)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-1-phenyl-2-octen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F9IO
InChI InChI=1S/C18H18F9IO/c1-2-3-9-12(14(29)11-7-5-4-6-8-11)13(28)10-15(19,20)16(21,22)17(23,24)18(25,26)27/h4-8,14,29H,2-3,9-10H2,1H3/b13-12+
InChIKey RBZFSHVSIVOYTP-OUKQBFOZSA-N
Molecular Weight 548.231 g/mol
SMILES OC(\C(=C/(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)CCCC)c1ccccc1
SPLASH splash10-00di-0000900000-c7ecf9025f32bfbb0d72
Source of Spectrum F-67-8812-3c
Wiley ID 1691093