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Pectolinarigenin, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR, and 1 FTIR

Pectolinarigenin, bis(trifluoroacetate)
SpectraBase Compound ID Jr3syUwKahf
InChI InChI=1S/C21H12F6O8/c1-31-10-5-3-9(4-6-10)12-7-11(28)15-13(33-12)8-14(34-18(29)20(22,23)24)16(32-2)17(15)35-19(30)21(25,26)27/h3-8H,1-2H3
InChIKey SZOXNIMGJPLJTJ-UHFFFAOYSA-N
Mol Weight 506.31 g/mol
Molecular Formula C21H12F6O8
Exact Mass 506.043636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyPPblnrNTE
Name Pectolinarigenin, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.043636316 u
Formula C21H12F6O8
InChI InChI=1S/C21H12F6O8/c1-31-10-5-3-9(4-6-10)12-7-11(28)15-13(33-12)8-14(34-18(29)20(22,23)24)16(32-2)17(15)35-19(30)21(25,26)27/h3-8H,1-2H3
InChIKey SZOXNIMGJPLJTJ-UHFFFAOYSA-N
Molecular Weight 506.309 g/mol
SMILES C1(OC(C(F)(F)F)=O)=C2C(OC(=CC2=O)C2=CC=C(C=C2)OC)=CC(=C1OC)OC(C(F)(F)F)=O