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

*Links on SpectraBase are not permalinks.

4,5,9,10-TETR-(PHENYLETHYNYL)-2,7-DI-TERT.-BUTYL-TRANS-10B,10C-DIMETHYL-10B,10C-DIHYDROPYRENE

View entire compound with spectra: 1 NMR

4,5,9,10-TETR-(PHENYLETHYNYL)-2,7-DI-TERT.-BUTYL-TRANS-10B,10C-DIMETHYL-10B,10C-DIHYDROPYRENE
SpectraBase Compound ID 5ceHEc0RVjM
InChI InChI=1S/C58H48/c1-55(2,3)45-37-51-47(33-29-41-21-13-9-14-22-41)49(35-31-43-25-17-11-18-26-43)53-39-46(56(4,5)6)40-54-50(36-32-44-27-19-12-20-28-44)48(34-30-42-23-15-10-16-24-42)52(38-45)57(51,7)58(53,54)8/h9-28,37-40H,1-8H3/t57-,58-
InChIKey DJKXIHDJWOVPMI-GXGABASRSA-N
Mol Weight 745.0 g/mol
Molecular Formula C58H48
Exact Mass 744.375602 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 KpOk4ZG1ZIn
Name 4,5,9,10-TETR-(PHENYLETHYNYL)-2,7-DI-TERT.-BUTYL-TRANS-10B,10C-DIMETHYL-10B,10C-DIHYDROPYRENE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H48
InChI InChI=1S/C58H48/c1-55(2,3)45-37-51-47(33-29-41-21-13-9-14-22-41)49(35-31-43-25-17-11-18-26-43)53-39-46(56(4,5)6)40-54-50(36-32-44-27-19-12-20-28-44)48(34-30-42-23-15-10-16-24-42)52(38-45)57(51,7)58(53,54)8/h9-28,37-40H,1-8H3/t57-,58-
InChIKey DJKXIHDJWOVPMI-GXGABASRSA-N
Literature Reference Author D.B.KIMBALL,M.M.HALEY
Literature Reference Citation J.ORG.CHEM.,67,8798(2002)
Literature Reference DOI 10.1021/jo020462q
Molecular Weight 745.019 g/mol
Solvent CDCl3
Source File Reference UWVN23781