For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Biochanin A, o,o'-bis(pentafluoropropionyl)-

View entire compound with spectra: 1 NMR

Biochanin A, o,o'-bis(pentafluoropropionyl)-
SpectraBase Compound ID 1S5329jyEwP
InChI InChI=1S/C22H10F10O7/c1-36-10-4-2-9(3-5-10)12-8-37-13-6-11(38-17(34)19(23,24)21(27,28)29)7-14(15(13)16(12)33)39-18(35)20(25,26)22(30,31)32/h2-8H,1H3
InChIKey YQDALNNBGZGMOT-UHFFFAOYSA-N
Mol Weight 576.3 g/mol
Molecular Formula C22H10F10O7
Exact Mass 576.026684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3x8g4JPdBHW
Name Biochanin A, o,o'-bis(pentafluoropropionyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.026684285 u
Formula C22H10F10O7
InChI InChI=1S/C22H10F10O7/c1-36-10-4-2-9(3-5-10)12-8-37-13-6-11(38-17(34)19(23,24)21(27,28)29)7-14(15(13)16(12)33)39-18(35)20(25,26)22(30,31)32/h2-8H,1H3
InChIKey YQDALNNBGZGMOT-UHFFFAOYSA-N
Molecular Weight 576.299 g/mol
SMILES C1=2OC=C(C(C2C(OC(C(C(F)(F)F)(F)F)=O)=CC(OC(C(C(F)(F)F)(F)F)=O)=C1)=O)C1=CC=C(OC)C=C1