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9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Heptadecakis(fluoranyl)hexadecane-1,2-diol

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9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Heptadecakis(fluoranyl)hexadecane-1,2-diol
SpectraBase Compound ID E5FmTaCBGJz
InChI InChI=1S/C16H17F17O2/c17-9(18,6-4-2-1-3-5-8(35)7-34)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,34-35H,1-7H2
InChIKey VTUMXRLLDQXJSA-UHFFFAOYSA-N
Mol Weight 564.28 g/mol
Molecular Formula C16H17F17O2
Exact Mass 564.095709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5A7BHvuE0i
Name 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Heptadecakis(fluoranyl)hexadecane-1,2-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.095708556 u
Formula C16H17F17O2
InChI InChI=1S/C16H17F17O2/c17-9(18,6-4-2-1-3-5-8(35)7-34)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,34-35H,1-7H2
InChIKey VTUMXRLLDQXJSA-UHFFFAOYSA-N
Molecular Weight 564.283 g/mol
SMILES C(C(C(C(C(F)(F)CCCCCCC(O)CO)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F