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2,4,4'-Trihydroxybenzophenone, tris(heptafluorobutyrate)

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2,4,4'-Trihydroxybenzophenone, tris(heptafluorobutyrate)
SpectraBase Compound ID 1XRsr2PB2HB
InChI InChI=1S/C25H7F21O7/c26-17(27,20(32,33)23(38,39)40)14(48)51-9-3-1-8(2-4-9)13(47)11-6-5-10(52-15(49)18(28,29)21(34,35)24(41,42)43)7-12(11)53-16(50)19(30,31)22(36,37)25(44,45)46/h1-7H
InChIKey JAKUPGNECLRABA-UHFFFAOYSA-N
Mol Weight 818.29 g/mol
Molecular Formula C25H7F21O7
Exact Mass 817.985644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9KiDA93xvY
Name 2,4,4'-Trihydroxybenzophenone, tris(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 817.985643981 u
Formula C25H7F21O7
InChI InChI=1S/C25H7F21O7/c26-17(27,20(32,33)23(38,39)40)14(48)51-9-3-1-8(2-4-9)13(47)11-6-5-10(52-15(49)18(28,29)21(34,35)24(41,42)43)7-12(11)53-16(50)19(30,31)22(36,37)25(44,45)46/h1-7H
InChIKey JAKUPGNECLRABA-UHFFFAOYSA-N
Molecular Weight 818.290 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=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F