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Resveratrol, o,o',o''-tri(pentafluoropropionyl)-

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Resveratrol, o,o',o''-tri(pentafluoropropionyl)-
SpectraBase Compound ID It3yg6MV2a7
InChI InChI=1S/C23H9F15O6/c24-18(25,21(30,31)32)15(39)42-12-5-3-10(4-6-12)1-2-11-7-13(43-16(40)19(26,27)22(33,34)35)9-14(8-11)44-17(41)20(28,29)23(36,37)38/h1-9H/b2-1+
InChIKey LJQIQIMTUKUOCQ-OWOJBTEDSA-N
Mol Weight 666.3 g/mol
Molecular Formula C23H9F15O6
Exact Mass 666.01596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHlHiNxveYT
Name Resveratrol, o,o',o''-tri(pentafluoropropionyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 666.015960449 u
Formula C23H9F15O6
InChI InChI=1S/C23H9F15O6/c24-18(25,21(30,31)32)15(39)42-12-5-3-10(4-6-12)1-2-11-7-13(43-16(40)19(26,27)22(33,34)35)9-14(8-11)44-17(41)20(28,29)23(36,37)38/h1-9H/b2-1+
InChIKey LJQIQIMTUKUOCQ-OWOJBTEDSA-N
Molecular Weight 666.295 g/mol
SMILES C1(=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)\C=C\C=1C=C(C=C(C1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O