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

*Links on SpectraBase are not permalinks.

3,3,5,5-Tetraphenyl-3,5-diphosphacyclohexen-5-one tetraphenylborate

View entire compound with spectra: 2 NMR

3,3,5,5-Tetraphenyl-3,5-diphosphacyclohexen-5-one tetraphenylborate
SpectraBase Compound ID 5ACG3vnfYbw
InChI InChI=1S/C28H25OP2.C24H20B/c29-24-21-30(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-31(22-24,27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,23H,21-22H2;1-20H/q+1;-1
InChIKey SQYCQURTPZLPLN-UHFFFAOYSA-N
Mol Weight 758.69 g/mol
Molecular Formula C52H45BOP2
Exact Mass 758.30387 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 H8BnRHOLiyn
Name 3,3,5,5-Tetraphenyl-3,5-diphosphacyclohexen-5-one tetraphenylborate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 758.303870234 u
Formula C52H45BOP2
InChI InChI=1S/C28H25OP2.C24H20B/c29-24-21-30(25-13-5-1-6-14-25,26-15-7-2-8-16-26)23-31(22-24,27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,23H,21-22H2;1-20H/q+1;-1
InChIKey SQYCQURTPZLPLN-UHFFFAOYSA-N
Molecular Weight 758.689 g/mol
SMILES c1([B-](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.C1(CP(=C[P+](C1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)=O