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Trans-2,2-diethyl-5-(3,4,5,6,7,8-tridecafluoroocty)-1,3-dioxacyclohexane

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Trans-2,2-diethyl-5-(3,4,5,6,7,8-tridecafluoroocty)-1,3-dioxacyclohexane
SpectraBase Compound ID 7sejUr7IOkJ
InChI InChI=1S/C16H19F13O2/c1-3-10(4-2)30-7-9(8-31-10)5-6-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9H,3-8H2,1-2H3
InChIKey CEHHGSGGXPOQME-UHFFFAOYSA-N
Mol Weight 490.31 g/mol
Molecular Formula C16H19F13O2
Exact Mass 490.117746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCn0sddxxuq
Name Trans-2,2-diethyl-5-(3,4,5,6,7,8-tridecafluoroocty)-1,3-dioxacyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.117745969 u
Formula C16H19F13O2
InChI InChI=1S/C16H19F13O2/c1-3-10(4-2)30-7-9(8-31-10)5-6-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9H,3-8H2,1-2H3
InChIKey CEHHGSGGXPOQME-UHFFFAOYSA-N
Molecular Weight 490.305 g/mol
SMILES C(C(C(C(CCC1COC(OC1)(CC)CC)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F