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Heptaethylene glycol 2TFA

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Heptaethylene glycol 2TFA
SpectraBase Compound ID D1nsJm7z1Xe
InChI InChI=1S/C18H28F6O10/c19-17(20,21)15(25)33-13-11-31-9-7-29-5-3-27-1-2-28-4-6-30-8-10-32-12-14-34-16(26)18(22,23)24/h1-14H2
InChIKey BIKWWTGIGYWFAV-UHFFFAOYSA-N
Mol Weight 518.4 g/mol
Molecular Formula C18H28F6O10
Exact Mass 518.158666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sGtFu57fgV
Name 2-[2-[2-[2-[2-[2-[2-(2,2,2-Trifluoroacetyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 518.158666070 u
Formula C18H28F6O10
InChI InChI=1S/C18H28F6O10/c19-17(20,21)15(25)33-13-11-31-9-7-29-5-3-27-1-2-28-4-6-30-8-10-32-12-14-34-16(26)18(22,23)24/h1-14H2
InChIKey BIKWWTGIGYWFAV-UHFFFAOYSA-N
Molecular Weight 518.402 g/mol
SMILES C(OCCOC(C(F)(F)F)=O)COCCOCCOCCOCCOCCOC(C(F)(F)F)=O