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Genipin, o,o'-bis(pentafluoropropionyl)-

View entire compound with spectra: 1 NMR

Genipin, o,o'-bis(pentafluoropropionyl)-
SpectraBase Compound ID KzP6lanmGvM
InChI InChI=1S/C17H12F10O7/c1-31-10(28)8-5-32-11(34-13(30)15(20,21)17(25,26)27)9-6(2-3-7(8)9)4-33-12(29)14(18,19)16(22,23)24/h2,5,7,9,11H,3-4H2,1H3
InChIKey OBNOERGLQRNVGQ-UHFFFAOYSA-N
Mol Weight 518.26 g/mol
Molecular Formula C17H12F10O7
Exact Mass 518.042334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNFOdybD1d
Name Genipin, o,o'-bis(pentafluoropropionyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.042334349 u
Formula C17H12F10O7
InChI InChI=1S/C17H12F10O7/c1-31-10(28)8-5-32-11(34-13(30)15(20,21)17(25,26)27)9-6(2-3-7(8)9)4-33-12(29)14(18,19)16(22,23)24/h2,5,7,9,11H,3-4H2,1H3
InChIKey OBNOERGLQRNVGQ-UHFFFAOYSA-N
Molecular Weight 518.260 g/mol
SMILES COC(=O)C1=COC(C2C1CC=C2COC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O