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2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, trifluoroacetate

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

2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, trifluoroacetate
SpectraBase Compound ID Dao7CDknfx0
InChI InChI=1S/C20H19F3O3/c1-18(2)12-19(3,15-6-4-5-7-16(15)26-18)13-8-10-14(11-9-13)25-17(24)20(21,22)23/h4-11H,12H2,1-3H3
InChIKey RXIHAOMYFAGWNS-UHFFFAOYSA-N
Mol Weight 364.36 g/mol
Molecular Formula C20H19F3O3
Exact Mass 364.128629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cz0UANbmWrF
Name 2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 364.128628958 u
Formula C20H19F3O3
InChI InChI=1S/C20H19F3O3/c1-18(2)12-19(3,15-6-4-5-7-16(15)26-18)13-8-10-14(11-9-13)25-17(24)20(21,22)23/h4-11H,12H2,1-3H3
InChIKey RXIHAOMYFAGWNS-UHFFFAOYSA-N
Molecular Weight 364.364 g/mol
SMILES C1(OC2=C(C(C1)(C)C1=CC=C(C=C1)OC(C(F)(F)F)=O)C=CC=C2)(C)C