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

View entire compound with spectra: 1 NMR

2,2'-Methylenebis-(6-tert-butyl)-4-ethylphenol, trifluoroacetate
SpectraBase Compound ID K04pHt9mFBp
InChI InChI=1S/C27H35F3O3/c1-9-16-11-18(22(31)20(13-16)25(3,4)5)15-19-12-17(10-2)14-21(26(6,7)8)23(19)33-24(32)27(28,29)30/h11-14,31H,9-10,15H2,1-8H3
InChIKey NIGTXPDTDREWPU-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H35F3O3
Exact Mass 464.253829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n9bj0rh99g
Name 2,2'-Methylenebis-(6-tert-butyl)-4-ethylphenol, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 464.253829473 u
Formula C27H35F3O3
InChI InChI=1S/C27H35F3O3/c1-9-16-11-18(22(31)20(13-16)25(3,4)5)15-19-12-17(10-2)14-21(26(6,7)8)23(19)33-24(32)27(28,29)30/h11-14,31H,9-10,15H2,1-8H3
InChIKey NIGTXPDTDREWPU-UHFFFAOYSA-N
Molecular Weight 464.569 g/mol
SMILES C(C)(C)(C)C1=C(OC(C(F)(F)F)=O)C(CC2=C(O)C(C(C)(C)C)=CC(=C2)CC)=CC(=C1)CC