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Octanoic acid, 3,7-dimethyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester

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Octanoic acid, 3,7-dimethyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID 2l7pNrrUCPf
InChI InChI=1S/C17H22F12O2/c1-9(2)5-4-6-10(3)7-11(30)31-8-13(20,21)15(24,25)17(28,29)16(26,27)14(22,23)12(18)19/h9-10,12H,4-8H2,1-3H3
InChIKey ZTAANFDORGHFPK-UHFFFAOYSA-N
Mol Weight 486.34 g/mol
Molecular Formula C17H22F12O2
Exact Mass 486.142818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtT2FxAyVzT
Name Octanoic acid, 3,7-dimethyl-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.142817902 u
Formula C17H22F12O2
InChI InChI=1S/C17H22F12O2/c1-9(2)5-4-6-10(3)7-11(30)31-8-13(20,21)15(24,25)17(28,29)16(26,27)14(22,23)12(18)19/h9-10,12H,4-8H2,1-3H3
InChIKey ZTAANFDORGHFPK-UHFFFAOYSA-N
Molecular Weight 486.342 g/mol
SMILES CC(CCCC(CC(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)C)C