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2,6-di-Tert-butyl-4-methylphenol, o-heptafluorobutyryl

View entire compound with spectra: 1 NMR

2,6-di-Tert-butyl-4-methylphenol, o-heptafluorobutyryl
SpectraBase Compound ID JLNZeH5pB6c
InChI InChI=1S/C19H23F7O2/c1-10-8-11(15(2,3)4)13(12(9-10)16(5,6)7)28-14(27)17(20,21)18(22,23)19(24,25)26/h8-9H,1-7H3
InChIKey MXADXZCYUBOALL-UHFFFAOYSA-N
Mol Weight 416.38 g/mol
Molecular Formula C19H23F7O2
Exact Mass 416.158627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMY8lTxIiLR
Name 2,6-di-Tert-butyl-4-methylphenol, o-heptafluorobutyryl
Comments Computed using HOSE algorithm
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Exact Mass 416.158627120 u
Formula C19H23F7O2
InChI InChI=1S/C19H23F7O2/c1-10-8-11(15(2,3)4)13(12(9-10)16(5,6)7)28-14(27)17(20,21)18(22,23)19(24,25)26/h8-9H,1-7H3
InChIKey MXADXZCYUBOALL-UHFFFAOYSA-N
Molecular Weight 416.380 g/mol
SMILES C1(=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F