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3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluorononanoic acid heptyl ester

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3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluorononanoic acid heptyl ester
SpectraBase Compound ID 7wna4We4tPj
InChI InChI=1S/C16H17F15O2/c1-2-3-4-5-6-7-33-9(32)8-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-8H2,1H3
InChIKey ORNATLMKKWUZST-UHFFFAOYSA-N
Mol Weight 526.29 g/mol
Molecular Formula C16H17F15O2
Exact Mass 526.098902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Zfsl4kzX4A
Name 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluorononanoic acid heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.098902230 u
Formula C16H17F15O2
InChI InChI=1S/C16H17F15O2/c1-2-3-4-5-6-7-33-9(32)8-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-8H2,1H3
InChIKey ORNATLMKKWUZST-UHFFFAOYSA-N
Molecular Weight 526.286 g/mol
SMILES C(C(C(C(CC(=O)OCCCCCCC)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F