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1-Bromo-2,4,6,8-tetraphenyloctane (mixture of racemates)

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1-Bromo-2,4,6,8-tetraphenyloctane (mixture of racemates)
SpectraBase Compound ID CMdBudn5pWE
InChI InChI=1S/C32H33Br/c33-25-32(29-19-11-4-12-20-29)24-31(28-17-9-3-10-18-28)23-30(27-15-7-2-8-16-27)22-21-26-13-5-1-6-14-26/h1-20,30-32H,21-25H2
InChIKey MPKKDSACJSVFEA-UHFFFAOYSA-N
Mol Weight 497.5 g/mol
Molecular Formula C32H33Br
Exact Mass 496.176564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2O2IWjd7kCT
Name 1-Bromo-2,4,6,8-tetraphenyloctane (mixture of racemates)
Comments Computed using HOSE algorithm
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Exact Mass 496.176564063 u
Formula C32H33Br
InChI InChI=1S/C32H33Br/c33-25-32(29-19-11-4-12-20-29)24-31(28-17-9-3-10-18-28)23-30(27-15-7-2-8-16-27)22-21-26-13-5-1-6-14-26/h1-20,30-32H,21-25H2
InChIKey MPKKDSACJSVFEA-UHFFFAOYSA-N
Molecular Weight 497.520 g/mol
SMILES C(Br)C(CC(CC(CCC=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1