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3-(4-Bromophenyl)-1,5-diphenyl-pentane-1,5-dione

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

3-(4-Bromophenyl)-1,5-diphenyl-pentane-1,5-dione
SpectraBase Compound ID GmbgrchxZeG
InChI InChI=1S/C23H19BrO2/c24-21-13-11-17(12-14-21)20(15-22(25)18-7-3-1-4-8-18)16-23(26)19-9-5-2-6-10-19/h1-14,20H,15-16H2
InChIKey YNAYAUXKFYCIIN-UHFFFAOYSA-N
Mol Weight 407.31 g/mol
Molecular Formula C23H19BrO2
Exact Mass 406.056843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30klFY1ke1U
Name 3-(4-Bromophenyl)-1,5-diphenyl-pentane-1,5-dione
Comments Computed using HOSE algorithm
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Exact Mass 406.056842850 u
Formula C23H19BrO2
InChI InChI=1S/C23H19BrO2/c24-21-13-11-17(12-14-21)20(15-22(25)18-7-3-1-4-8-18)16-23(26)19-9-5-2-6-10-19/h1-14,20H,15-16H2
InChIKey YNAYAUXKFYCIIN-UHFFFAOYSA-N
Molecular Weight 407.307 g/mol
SMILES C1=CC(=CC=C1)C(CC(C1=CC=C(C=C1)Br)CC(C1=CC=CC=C1)=O)=O