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(3,4-Dihydroxyphenyl)ethanol tris(pentafluoropropionate)

View entire compound with spectra: 1 NMR

(3,4-Dihydroxyphenyl)ethanol tris(pentafluoropropionate)
SpectraBase Compound ID 6p3x1k06Fvj
InChI InChI=1S/C17H7F15O6/c18-12(19,15(24,25)26)9(33)36-4-3-6-1-2-7(37-10(34)13(20,21)16(27,28)29)8(5-6)38-11(35)14(22,23)17(30,31)32/h1-2,5H,3-4H2
InChIKey MHLWWFXKHYWZPY-UHFFFAOYSA-N
Mol Weight 592.21 g/mol
Molecular Formula C17H7F15O6
Exact Mass 592.00031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgVVPQaRjnB
Name (3,4-Dihydroxyphenyl)ethanol tris(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 592.000310384 u
Formula C17H7F15O6
InChI InChI=1S/C17H7F15O6/c18-12(19,15(24,25)26)9(33)36-4-3-6-1-2-7(37-10(34)13(20,21)16(27,28)29)8(5-6)38-11(35)14(22,23)17(30,31)32/h1-2,5H,3-4H2
InChIKey MHLWWFXKHYWZPY-UHFFFAOYSA-N
Molecular Weight 592.213 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)CCOC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F