For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,3,5-Tris(diphenylphosphorylmethyl)benzene

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

1,3,5-Tris(diphenylphosphorylmethyl)benzene
SpectraBase Compound ID LbKNjxmIvGV
InChI InChI=1S/C45H39O3P3/c46-49(40-19-7-1-8-20-40,41-21-9-2-10-22-41)34-37-31-38(35-50(47,42-23-11-3-12-24-42)43-25-13-4-14-26-43)33-39(32-37)36-51(48,44-27-15-5-16-28-44)45-29-17-6-18-30-45/h1-33H,34-36H2
InChIKey SKIHERRENMTERM-UHFFFAOYSA-N
Mol Weight 720.7 g/mol
Molecular Formula C45H39O3P3
Exact Mass 720.211206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CA5Xjo3vdYj
Name 1,3,5-Tris(diphenylphosphorylmethyl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 720.211206107 u
Formula C45H39O3P3
InChI InChI=1S/C45H39O3P3/c46-49(40-19-7-1-8-20-40,41-21-9-2-10-22-41)34-37-31-38(35-50(47,42-23-11-3-12-24-42)43-25-13-4-14-26-43)33-39(32-37)36-51(48,44-27-15-5-16-28-44)45-29-17-6-18-30-45/h1-33H,34-36H2
InChIKey SKIHERRENMTERM-UHFFFAOYSA-N
Molecular Weight 720.725 g/mol
SMILES C1(=CC(=CC(=C1)CP(C1=CC=CC=C1)(C1=CC=CC=C1)=O)CP(C1=CC=CC=C1)(C1=CC=CC=C1)=O)CP(C1=CC=CC=C1)(C1=CC=CC=C1)=O