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1,8-bis[(Phenyl)-[tris(2',4',6'-tris(t-butyl)phenyl]-phosphamethylene]-octa-1,3,5,7-tetrayne
SpectraBase Compound ID HYTJGAZxXgn
InChI InChI=1S/C58H68P2/c1-53(2,3)43-37-45(55(7,8)9)51(46(38-43)56(10,11)12)59-49(41-31-25-23-26-32-41)35-29-21-19-20-22-30-36-50(42-33-27-24-28-34-42)60-52-47(57(13,14)15)39-44(54(4,5)6)40-48(52)58(16,17)18/h23-28,31-34,37-40H,1-18H3
InChIKey BKWWVNFDQABRQK-UHFFFAOYSA-N
Mol Weight 827.1 g/mol
Molecular Formula C58H68P2
Exact Mass 826.479626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1Zjtwg9oyG
Name 1,8-bis[(Phenyl)-[tris(2',4',6'-tris(t-butyl)phenyl]-phosphamethylene]-octa-1,3,5,7-tetrayne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H68P2
InChI InChI=1S/C58H68P2/c1-53(2,3)43-37-45(55(7,8)9)51(46(38-43)56(10,11)12)59-49(41-31-25-23-26-32-41)35-29-21-19-20-22-30-36-50(42-33-27-24-28-34-42)60-52-47(57(13,14)15)39-44(54(4,5)6)40-48(52)58(16,17)18/h23-28,31-34,37-40H,1-18H3
InChIKey BKWWVNFDQABRQK-UHFFFAOYSA-N
Molecular Weight 827.130 g/mol
SMILES c1(\P=C/(C#CC#CC#CC#C\C(=P\c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)c2ccccc2)c2ccccc2)c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
SPLASH splash10-0nmi-0000008900-100891be4dd4f4192992
Source of Spectrum F6-47-8231-7
Wiley ID 1691523