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2,5-di-Tert-butylhydroquinone, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

2,5-di-Tert-butylhydroquinone, o-heptafluorobutyryl-
SpectraBase Compound ID Gd1TZtsIkzI
InChI InChI=1S/C18H21F7O3/c1-14(2,3)9-8-12(10(7-11(9)26)15(4,5)6)28-13(27)16(19,20)17(21,22)18(23,24)25/h7-8,26H,1-6H3
InChIKey HZUZDCSJFDDLJK-UHFFFAOYSA-N
Mol Weight 418.35 g/mol
Molecular Formula C18H21F7O3
Exact Mass 418.137892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEJoFqooey4
Name 2,5-di-Tert-butylhydroquinone, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 418.137891674 u
Formula C18H21F7O3
InChI InChI=1S/C18H21F7O3/c1-14(2,3)9-8-12(10(7-11(9)26)15(4,5)6)28-13(27)16(19,20)17(21,22)18(23,24)25/h7-8,26H,1-6H3
InChIKey HZUZDCSJFDDLJK-UHFFFAOYSA-N
Molecular Weight 418.352 g/mol
SMILES C(C)(C)(C)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=C(C(=C1)O)C(C)(C)C