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(5R,1E)-5-Hydroxy-5-(4-methylphenyl)-1-phenyl-1-penten-3-one

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

(5R,1E)-5-Hydroxy-5-(4-methylphenyl)-1-phenyl-1-penten-3-one
SpectraBase Compound ID 12cRUBtol4T
InChI InChI=1S/C18H18O2/c1-14-7-10-16(11-8-14)18(20)13-17(19)12-9-15-5-3-2-4-6-15/h2-12,18,20H,13H2,1H3/b12-9+/t18-/m1/s1
InChIKey HMMGOZNMYGJIKY-ZPHJMFTNSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWmbUQEP5wW
Name (5R,1E)-5-Hydroxy-5-(4-methylphenyl)-1-phenyl-1-penten-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-14-7-10-16(11-8-14)18(20)13-17(19)12-9-15-5-3-2-4-6-15/h2-12,18,20H,13H2,1H3/b12-9+/t18-/m1/s1
InChIKey HMMGOZNMYGJIKY-ZPHJMFTNSA-N
Molecular Weight 266.340 g/mol
SMILES C([C@](C=1C=CC(=CC1)C)(O)[H])C(\C=C\C=1C=CC=CC1)=O