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(p-Benzyloxybenzyl)triphenylphosphonium bromide
SpectraBase Compound ID 793WAuvncI5
InChI InChI=1S/C32H28BrOP/c33-35(30-15-7-2-8-16-30,31-17-9-3-10-18-31,32-19-11-4-12-20-32)26-28-21-23-29(24-22-28)34-25-27-13-5-1-6-14-27/h1-24H,25-26H2
InChIKey XTHZNFMTCSRXGO-UHFFFAOYSA-N
Mol Weight 539.5 g/mol
Molecular Formula C32H28BrOP
Exact Mass 538.106116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SAz6Flfiwm
Name (p-Benzyloxybenzyl)triphenylphosphonium bromide
Comments Computed using HOSE algorithm
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Exact Mass 538.106115519 u
Formula C32H28BrOP
InChI InChI=1S/C32H28BrOP/c33-35(30-15-7-2-8-16-30,31-17-9-3-10-18-31,32-19-11-4-12-20-32)26-28-21-23-29(24-22-28)34-25-27-13-5-1-6-14-27/h1-24H,25-26H2
InChIKey XTHZNFMTCSRXGO-UHFFFAOYSA-N
Molecular Weight 539.453 g/mol
SMILES C=1(P(C=2C=CC=CC2)(C=2C=CC=CC2)(CC=2C=CC(=CC2)OCC=2C=CC=CC2)Br)C=CC=CC1