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Pentadecafluorooctanoic acid, isobutyl ester
SpectraBase Compound ID 1cy3L9HbfgZ
InChI InChI=1S/C12H9F15O2/c1-4(2)3-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4H,3H2,1-2H3
InChIKey WRMQEARPYRLONJ-UHFFFAOYSA-N
Mol Weight 470.18 g/mol
Molecular Formula C12H9F15O2
Exact Mass 470.036302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbWkUasSEjK
Name Pentadecafluorooctanoic acid, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.036301973 u
Formula C12H9F15O2
InChI InChI=1S/C12H9F15O2/c1-4(2)3-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4H,3H2,1-2H3
InChIKey WRMQEARPYRLONJ-UHFFFAOYSA-N
Molecular Weight 470.178 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCC(C)C)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F