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

*Links on SpectraBase are not permalinks.

2,2-bis(3,5-Dimethyl-4-hydroxyphenyl)propane, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

2,2-bis(3,5-Dimethyl-4-hydroxyphenyl)propane, bis(pentafluoropropionate)
SpectraBase Compound ID LxtAuXVtpA2
InChI InChI=1S/C25H22F10O4/c1-11-7-15(8-12(2)17(11)38-19(36)22(26,27)24(30,31)32)21(5,6)16-9-13(3)18(14(4)10-16)39-20(37)23(28,29)25(33,34)35/h7-10H,1-6H3
InChIKey HYUTZZRQQJSFOI-UHFFFAOYSA-N
Mol Weight 576.43 g/mol
Molecular Formula C25H22F10O4
Exact Mass 576.135841 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 CsCKAmoF1zN
Name 2,2-bis(3,5-Dimethyl-4-hydroxyphenyl)propane, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.135840814 u
Formula C25H22F10O4
InChI InChI=1S/C25H22F10O4/c1-11-7-15(8-12(2)17(11)38-19(36)22(26,27)24(30,31)32)21(5,6)16-9-13(3)18(14(4)10-16)39-20(37)23(28,29)25(33,34)35/h7-10H,1-6H3
InChIKey HYUTZZRQQJSFOI-UHFFFAOYSA-N
Molecular Weight 576.431 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=C(C=C(C=C1C)C(C)(C)C1=CC(=C(C(=C1)C)OC(C(C(F)(F)F)(F)F)=O)C)C