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Pyrogallol, tris(heptafluorobutyrate)

View entire compound with spectra: 1 NMR

Pyrogallol, tris(heptafluorobutyrate)
SpectraBase Compound ID CenZyei2ovm
InChI InChI=1S/C18H3F21O6/c19-10(20,13(25,26)16(31,32)33)7(40)43-4-2-1-3-5(44-8(41)11(21,22)14(27,28)17(34,35)36)6(4)45-9(42)12(23,24)15(29,30)18(37,38)39/h1-3H
InChIKey BMHRHYIOFOAWDO-UHFFFAOYSA-N
Mol Weight 714.18 g/mol
Molecular Formula C18H3F21O6
Exact Mass 713.959429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HK11K6kd9pV
Name Pyrogallol, tris(heptafluorobutyrate)
Comments Computed using HOSE algorithm
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Exact Mass 713.959429234 u
Formula C18H3F21O6
InChI InChI=1S/C18H3F21O6/c19-10(20,13(25,26)16(31,32)33)7(40)43-4-2-1-3-5(44-8(41)11(21,22)14(27,28)17(34,35)36)6(4)45-9(42)12(23,24)15(29,30)18(37,38)39/h1-3H
InChIKey BMHRHYIOFOAWDO-UHFFFAOYSA-N
Molecular Weight 714.182 g/mol
SMILES C1(=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F