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2,2'-Methylenebis-(6-tert-butyl)-4-ethylphenol, o-pentafluoropropionyl-

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

2,2'-Methylenebis-(6-tert-butyl)-4-ethylphenol, o-pentafluoropropionyl-
SpectraBase Compound ID BUDkePAPb0F
InChI InChI=1S/C28H35F5O3/c1-9-16-11-18(22(34)20(13-16)25(3,4)5)15-19-12-17(10-2)14-21(26(6,7)8)23(19)36-24(35)27(29,30)28(31,32)33/h11-14,34H,9-10,15H2,1-8H3
InChIKey KLWGQAFAMBNAGN-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C28H35F5O3
Exact Mass 514.250636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwntZSTcxbs
Name 2,2'-Methylenebis-(6-tert-butyl)-4-ethylphenol, o-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.250635799 u
Formula C28H35F5O3
InChI InChI=1S/C28H35F5O3/c1-9-16-11-18(22(34)20(13-16)25(3,4)5)15-19-12-17(10-2)14-21(26(6,7)8)23(19)36-24(35)27(29,30)28(31,32)33/h11-14,34H,9-10,15H2,1-8H3
InChIKey KLWGQAFAMBNAGN-UHFFFAOYSA-N
Molecular Weight 514.577 g/mol
SMILES C(C)(C)(C)C1=C(OC(C(C(F)(F)F)(F)F)=O)C(CC2=C(O)C(C(C)(C)C)=CC(=C2)CC)=CC(=C1)CC