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

*Links on SpectraBase are not permalinks.
(2-{11,18-bis[2-(diphenylphosphanyl)ethynyl]pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2(7),3,5,9,11,13,15(20),16,18-nonaen-4-yl}ethynyl)diphenylphosphane
SpectraBase Compound ID Kge5MailKWw
InChI InChI=1S/C62H41P3/c1-7-19-49(20-8-1)63(50-21-9-2-10-22-50)40-37-46-33-36-57-58(43-46)61-55-34-31-47(38-41-64(51-23-11-3-12-24-51)52-25-13-4-14-26-52)44-59(55)62(57)60-45-48(32-35-56(60)61)39-42-65(53-27-15-5-16-28-53)54-29-17-6-18-30-54/h1-36,43-45,61-62H/t61-,62+
InChIKey PUKXLOPALYTDCY-CKQRJNAWSA-N
Mol Weight 878.9 g/mol
Molecular Formula C62H41P3
Exact Mass 878.242112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 5HAhBqgiYe3
Name (2-{11,18-bis[2-(diphenylphosphanyl)ethynyl]pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2(7),3,5,9,11,13,15(20),16,18-nonaen-4-yl}ethynyl)diphenylphosphane
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C62H41P3
InChI InChI=1S/C62H41P3/c1-7-19-49(20-8-1)63(50-21-9-2-10-22-50)40-37-46-33-36-57-58(43-46)61-55-34-31-47(38-41-64(51-23-11-3-12-24-51)52-25-13-4-14-26-52)44-59(55)62(57)60-45-48(32-35-56(60)61)39-42-65(53-27-15-5-16-28-53)54-29-17-6-18-30-54/h1-36,43-45,61-62H/t61-,62+
InChIKey PUKXLOPALYTDCY-CKQRJNAWSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.130
Molecular Weight 878.931 g/mol
SMILES c1c(ccc2[C@]3(c4c(ccc(c4)C#CP(c4ccccc4)c4ccccc4)[C@](c4c3cc(cc4)C#CP(c3ccccc3)c3ccccc3)(c12)[H])[H])C#CP(c1ccccc1)c1ccccc1
SPLASH splash10-0c00-0093100000-c44f50773f43ff0caa71
Source of Spectrum BJO-10-SM16-8
Wiley ID 1853885