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

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

2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, trimethylacetate
SpectraBase Compound ID CbGDdOzfsBr
InChI InChI=1S/C23H28O3/c1-21(2,3)20(24)25-17-13-11-16(12-14-17)23(6)15-22(4,5)26-19-10-8-7-9-18(19)23/h7-14H,15H2,1-6H3
InChIKey VWBIBQXJFCAGIH-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSvFFXygS7r
Name 2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, trimethylacetate
Comments Computed using HOSE algorithm
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Exact Mass 352.203844759 u
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-21(2,3)20(24)25-17-13-11-16(12-14-17)23(6)15-22(4,5)26-19-10-8-7-9-18(19)23/h7-14H,15H2,1-6H3
InChIKey VWBIBQXJFCAGIH-UHFFFAOYSA-N
Molecular Weight 352.474 g/mol
SMILES C1(OC2=C(C(C1)(C)C1=CC=C(C=C1)OC(C(C)(C)C)=O)C=CC=C2)(C)C