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3,5-di-Tert-butyl-4-hydroxybenzoic acid, 1,1,1-trifluoro-2-propyl ester

View entire compound with spectra: 1 NMR

3,5-di-Tert-butyl-4-hydroxybenzoic acid, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID Cd5ig6ONiD4
InChI InChI=1S/C18H25F3O3/c1-10(18(19,20)21)24-15(23)11-8-12(16(2,3)4)14(22)13(9-11)17(5,6)7/h8-10,22H,1-7H3
InChIKey UVTHVYSXSSCHFM-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C18H25F3O3
Exact Mass 346.175579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zN1v0PpIzz
Name 3,5-di-Tert-butyl-4-hydroxybenzoic acid, 1,1,1-trifluoro-2-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.175579151 u
Formula C18H25F3O3
InChI InChI=1S/C18H25F3O3/c1-10(18(19,20)21)24-15(23)11-8-12(16(2,3)4)14(22)13(9-11)17(5,6)7/h8-10,22H,1-7H3
InChIKey UVTHVYSXSSCHFM-UHFFFAOYSA-N
Molecular Weight 346.390 g/mol
SMILES C1=C(C(=C(C=C1C(OC(C(F)(F)F)C)=O)C(C)(C)C)O)C(C)(C)C