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3-(2',2',3',3',4',4',5',5',5'-Nonafluoropentyl)-1-phenylhex-5-yn-2(E)-en-1,6-diol

View entire compound with spectra: 1 MS (GC)

3-(2',2',3',3',4',4',5',5',5'-Nonafluoropentyl)-1-phenylhex-5-yn-2(E)-en-1,6-diol
SpectraBase Compound ID Fyf4o0WCwMi
InChI InChI=1S/C17H13F9O2/c18-14(19,15(20,21)16(22,23)17(24,25)26)10-11(5-4-8-27)9-13(28)12-6-2-1-3-7-12/h1-3,6-7,9,13,27-28H,5,10H2/b11-9+
InChIKey LGKHTOLFGKRNBS-PKNBQFBNSA-N
Mol Weight 420.27 g/mol
Molecular Formula C17H13F9O2
Exact Mass 420.077183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfQFiS9Y4Ew
Name 3-(2',2',3',3',4',4',5',5',5'-Nonafluoropentyl)-1-phenylhex-5-yn-2(E)-en-1,6-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13F9O2
InChI InChI=1S/C17H13F9O2/c18-14(19,15(20,21)16(22,23)17(24,25)26)10-11(5-4-8-27)9-13(28)12-6-2-1-3-7-12/h1-3,6-7,9,13,27-28H,5,10H2/b11-9+
InChIKey LGKHTOLFGKRNBS-PKNBQFBNSA-N
Molecular Weight 420.275 g/mol
SMILES OC(\C=C/(CC#CO)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccccc1
SPLASH splash10-0a4i-0900100000-2cebcad05bb0dff5f90f
Source of Spectrum F-67-8813-5d
Wiley ID 1691087