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9,9,10,10,11,11,12,12,12-nonafluoro-7-iodo-5-butyl-6(E)-dodecen-5-ol

View entire compound with spectra: 1 MS (GC)

9,9,10,10,11,11,12,12,12-nonafluoro-7-iodo-5-butyl-6(E)-dodecen-5-ol
SpectraBase Compound ID 91j0s3zpxUB
InChI InChI=1S/C16H22F9IO/c1-3-5-7-12(27,8-6-4-2)9-11(26)10-13(17,18)14(19,20)15(21,22)16(23,24)25/h9,27H,3-8,10H2,1-2H3/b11-9+
InChIKey RZYXDKRYIKUVQM-PKNBQFBNSA-N
Mol Weight 528.24 g/mol
Molecular Formula C16H22F9IO
Exact Mass 528.057164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dk6ATAYNNGB
Name 9,9,10,10,11,11,12,12,12-nonafluoro-7-iodo-5-butyl-6(E)-dodecen-5-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22F9IO
InChI InChI=1S/C16H22F9IO/c1-3-5-7-12(27,8-6-4-2)9-11(26)10-13(17,18)14(19,20)15(21,22)16(23,24)25/h9,27H,3-8,10H2,1-2H3/b11-9+
InChIKey RZYXDKRYIKUVQM-PKNBQFBNSA-N
Molecular Weight 528.241 g/mol
SMILES OC(\C=C/(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)(CCCC)CCCC
SPLASH splash10-00di-0000900000-9ab2e763a3a897f55279
Source of Spectrum F-67-8817-3se
Wiley ID 1691068