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2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR

2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(heptafluorobutyrate)
SpectraBase Compound ID 1yjozq4Yg2b
InChI InChI=1S/C29H6F28O9/c30-18(31,22(38,39)26(46,47)48)14(59)63-7-1-3-9(11(5-7)65-16(61)20(34,35)24(42,43)28(52,53)54)13(58)10-4-2-8(64-15(60)19(32,33)23(40,41)27(49,50)51)6-12(10)66-17(62)21(36,37)25(44,45)29(55,56)57/h1-6H
InChIKey KUMJVHLBFRGEJP-UHFFFAOYSA-N
Mol Weight 1030.31 g/mol
Molecular Formula C29H6F28O9
Exact Mass 1029.95647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7m7EzOEd1l9
Name 2,2',4,4'-Tetrahydroxybenzophenone, tetrakis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1029.956470328 u
Formula C29H6F28O9
InChI InChI=1S/C29H6F28O9/c30-18(31,22(38,39)26(46,47)48)14(59)63-7-1-3-9(11(5-7)65-16(61)20(34,35)24(42,43)28(52,53)54)13(58)10-4-2-8(64-15(60)19(32,33)23(40,41)27(49,50)51)6-12(10)66-17(62)21(36,37)25(44,45)29(55,56)57/h1-6H
InChIKey KUMJVHLBFRGEJP-UHFFFAOYSA-N
Molecular Weight 1030.313 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C1=C(C=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F