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5,5-Dimethyl-1,3-dioxane-2-ethanol, trifluoroacetate
SpectraBase Compound ID KDatKX8NlfH
InChI InChI=1S/C10H15F3O4/c1-9(2)5-16-7(17-6-9)3-4-15-8(14)10(11,12)13/h7H,3-6H2,1-2H3
InChIKey CVMWITKCIWGEJD-UHFFFAOYSA-N
Mol Weight 256.22 g/mol
Molecular Formula C10H15F3O4
Exact Mass 256.092243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GAsPVJvyfA
Name 5,5-Dimethyl-1,3-dioxane-2-ethanol, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.092243448 u
Formula C10H15F3O4
InChI InChI=1S/C10H15F3O4/c1-9(2)5-16-7(17-6-9)3-4-15-8(14)10(11,12)13/h7H,3-6H2,1-2H3
InChIKey CVMWITKCIWGEJD-UHFFFAOYSA-N
Molecular Weight 256.221 g/mol
SMILES C1(OCC(CO1)(C)C)CCOC(C(F)(F)F)=O