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

*Links on SpectraBase are not permalinks.
4-(3"-Hydroxy-3"-methyl-1"-butynyl)-4'-(pentaphenylphenyl)-biphenyl
SpectraBase Compound ID KdKZaW797k6
InChI InChI=1S/C53H40O/c1-53(2,54)37-36-38-28-30-39(31-29-38)40-32-34-46(35-33-40)52-50(44-24-14-6-15-25-44)48(42-20-10-4-11-21-42)47(41-18-8-3-9-19-41)49(43-22-12-5-13-23-43)51(52)45-26-16-7-17-27-45/h3-35,54H,1-2H3
InChIKey DJXORKYTVNEJHO-UHFFFAOYSA-N
Mol Weight 692.9 g/mol
Molecular Formula C53H40O
Exact Mass 692.307916 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 1JaOlR5ou0
Name 4-(3"-Hydroxy-3"-methyl-1"-butynyl)-4'-(pentaphenylphenyl)-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H40O
InChI InChI=1S/C53H40O/c1-53(2,54)37-36-38-28-30-39(31-29-38)40-32-34-46(35-33-40)52-50(44-24-14-6-15-25-44)48(42-20-10-4-11-21-42)47(41-18-8-3-9-19-41)49(43-22-12-5-13-23-43)51(52)45-26-16-7-17-27-45/h3-35,54H,1-2H3
InChIKey DJXORKYTVNEJHO-UHFFFAOYSA-N
Molecular Weight 692.902 g/mol
SMILES OC(C#Cc1ccc(-c2ccc(-c3c(c(-c4ccccc4)c(c(c3-c3ccccc3)-c3ccccc3)-c3ccccc3)-c3ccccc3)cc2)cc1)(C)C
SPLASH splash10-0006-0000009000-2b2bd7e6528af4d64d73
Source of Spectrum C-126-5803-11
Wiley ID 1701434