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1-(2-Benzhydrylsulfanyl-1-naphthyl)-2-diphenylphosphoryl-naphthalene

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

1-(2-Benzhydrylsulfanyl-1-naphthyl)-2-diphenylphosphoryl-naphthalene
SpectraBase Compound ID 2h4Ah53GKnH
InChI InChI=1S/C45H33OPS/c46-47(37-23-9-3-10-24-37,38-25-11-4-12-26-38)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48-45(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-32,45H
InChIKey OXGNIIREJZZNDR-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C45H33OPS
Exact Mass 652.198974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2o84RmoBl0E
Name 1-(2-Benzhydrylsulfanyl-1-naphthyl)-2-diphenylphosphoryl-naphthalene
Comments Computed using HOSE algorithm
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Exact Mass 652.198973854 u
Formula C45H33OPS
InChI InChI=1S/C45H33OPS/c46-47(37-23-9-3-10-24-37,38-25-11-4-12-26-38)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48-45(35-19-5-1-6-20-35)36-21-7-2-8-22-36/h1-32,45H
InChIKey OXGNIIREJZZNDR-UHFFFAOYSA-N
Molecular Weight 652.792 g/mol
SMILES C=1(C(=CC=C2C=CC=CC12)P(=O)(C=1C=CC=CC1)C=1C=CC=CC1)C=1C(=CC=C2C=CC=CC12)SC(C=1C=CC=CC1)C=1C=CC=CC1