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Decanoic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Decanoic acid 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID 6KzFzFkFkcc
InChI InChI=1S/C17H22F12O2/c1-2-3-4-5-6-7-8-9-11(30)31-10-13(20,21)15(24,25)17(28,29)16(26,27)14(22,23)12(18)19/h12H,2-10H2,1H3
InChIKey STTYQUIKLZSVHK-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 KTNB29bMIfw
Name Decanoic acid, 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/c1-2-3-4-5-6-7-8-9-11(30)31-10-13(20,21)15(24,25)17(28,29)16(26,27)14(22,23)12(18)19/h12H,2-10H2,1H3
InChIKey STTYQUIKLZSVHK-UHFFFAOYSA-N
Molecular Weight 486.342 g/mol
SMILES C(C(C(COC(CCCCCCCCC)=O)(F)F)(F)F)(C(C(C(F)F)(F)F)(F)F)(F)F