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Pectolinarigenin, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

Pectolinarigenin, bis(pentafluoropropionate)
SpectraBase Compound ID 3IKYid2QfOx
InChI InChI=1S/C23H12F10O8/c1-37-10-5-3-9(4-6-10)12-7-11(34)15-13(39-12)8-14(40-18(35)20(24,25)22(28,29)30)16(38-2)17(15)41-19(36)21(26,27)23(31,32)33/h3-8H,1-2H3
InChIKey XVHJLXVWRIUXGE-UHFFFAOYSA-N
Mol Weight 606.33 g/mol
Molecular Formula C23H12F10O8
Exact Mass 606.037249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIaeYY3Diac
Name Pectolinarigenin, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 606.037248968 u
Formula C23H12F10O8
InChI InChI=1S/C23H12F10O8/c1-37-10-5-3-9(4-6-10)12-7-11(34)15-13(39-12)8-14(40-18(35)20(24,25)22(28,29)30)16(38-2)17(15)41-19(36)21(26,27)23(31,32)33/h3-8H,1-2H3
InChIKey XVHJLXVWRIUXGE-UHFFFAOYSA-N
Molecular Weight 606.325 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=C2C(OC(=CC2=O)C2=CC=C(C=C2)OC)=CC(=C1OC)OC(C(C(F)(F)F)(F)F)=O