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3-t-Butyl-1-(4-methoxyphenyl)-5-p-tolylpentane-1,5-dione

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3-t-Butyl-1-(4-methoxyphenyl)-5-p-tolylpentane-1,5-dione
SpectraBase Compound ID 6s0qhvPwpLD
InChI InChI=1S/C23H28O3/c1-16-6-8-17(9-7-16)21(24)14-19(23(2,3)4)15-22(25)18-10-12-20(26-5)13-11-18/h6-13,19H,14-15H2,1-5H3
InChIKey ZJGDASAALZKOBT-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 FbYJPy0DFF
Name 3-T-Butyl-1-(4-methoxyphenyl)-5-p-tolylpentane-1,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.203844759 u
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-16-6-8-17(9-7-16)21(24)14-19(23(2,3)4)15-22(25)18-10-12-20(26-5)13-11-18/h6-13,19H,14-15H2,1-5H3
InChIKey ZJGDASAALZKOBT-UHFFFAOYSA-N
Molecular Weight 352.474 g/mol
SMILES CC1=CC=C(C(CC(CC(C=2C=CC(OC)=CC2)=O)C(C)(C)C)=O)C=C1