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

*Links on SpectraBase are not permalinks.

2-Propanethiol, 1,3-bis(diphenylphosphino)-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-Propanethiol, 1,3-bis(diphenylphosphino)-
SpectraBase Compound ID 354aF9u2HCM
InChI InChI=1S/C27H26P2S/c30-27(21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27,30H,21-22H2
InChIKey CQXPSDLNEWMBTF-UHFFFAOYSA-N
Mol Weight 444.51 g/mol
Molecular Formula C27H26P2S
Exact Mass 444.123046 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 Erczl8KC7jZ
Name 2-Propanethiol, 1,3-bis(diphenylphosphino)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.123046007 u
Formula C27H26P2S
InChI InChI=1S/C27H26P2S/c30-27(21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27,30H,21-22H2
InChIKey CQXPSDLNEWMBTF-UHFFFAOYSA-N
Molecular Weight 444.513 g/mol
SMILES C1=CC(P(CC(CP(C2=CC=CC=C2)C2=CC=CC=C2)S)C2=CC=CC=C2)=CC=C1