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1,1,1,4,6-Pentaphenyl-hex-3-en-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

1,1,1,4,6-Pentaphenyl-hex-3-en-2-one
SpectraBase Compound ID BmRht7ikaC9
InChI InChI=1S/C36H30O/c37-35(28-31(30-18-8-2-9-19-30)27-26-29-16-6-1-7-17-29)36(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,28H,26-27H2/b31-28+
InChIKey LXEHTKRXTIETTO-CCFHIKDMSA-N
Mol Weight 478.6 g/mol
Molecular Formula C36H30O
Exact Mass 478.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4h1KAL3nmof
Name 1,1,1,4,6-Pentaphenyl-hex-3-en-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.229665585 u
Formula C36H30O
InChI InChI=1S/C36H30O/c37-35(28-31(30-18-8-2-9-19-30)27-26-29-16-6-1-7-17-29)36(32-20-10-3-11-21-32,33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,28H,26-27H2/b31-28+
InChIKey LXEHTKRXTIETTO-CCFHIKDMSA-N
Molecular Weight 478.635 g/mol
SMILES C1=CC=C(C=C1)C(C(=O)\C=C/(CCC=1C=CC=CC1)C1=CC=CC=C1)(C=1C=CC=CC1)C1=CC=CC=C1