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

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Resveratrol, o,o',o''-tri(heptafluorobutyryl)-
SpectraBase Compound ID U5XOH9rZit
InChI InChI=1S/C26H9F21O6/c27-18(28,21(33,34)24(39,40)41)15(48)51-12-5-3-10(4-6-12)1-2-11-7-13(52-16(49)19(29,30)22(35,36)25(42,43)44)9-14(8-11)53-17(50)20(31,32)23(37,38)26(45,46)47/h1-9H/b2-1+
InChIKey MPASTRCXCNOYME-OWOJBTEDSA-N
Mol Weight 816.32 g/mol
Molecular Formula C26H9F21O6
Exact Mass 816.006379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfuRSLC1YJl
Name Resveratrol, o,o',o''-tri(heptafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 816.006379427 u
Formula C26H9F21O6
InChI InChI=1S/C26H9F21O6/c27-18(28,21(33,34)24(39,40)41)15(48)51-12-5-3-10(4-6-12)1-2-11-7-13(52-16(49)19(29,30)22(35,36)25(42,43)44)9-14(8-11)53-17(50)20(31,32)23(37,38)26(45,46)47/h1-9H/b2-1+
InChIKey MPASTRCXCNOYME-OWOJBTEDSA-N
Molecular Weight 816.318 g/mol
SMILES C1(=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)\C=C\C=1C=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