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4-(3""""-Hydroxy-3""""-methyl-1""""-butynyl)-4'-(pentaphenylphenyl)-biphenyl

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

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J20vQdsB0UI
Name 4-(3""""-Hydroxy-3""""-methyl-1""""-butynyl)-4'-(pentaphenylphenyl)-biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 692.307915907 u
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 C=1(C(=C(C=2C=CC=CC2)C(=C(C1C=1C=CC=CC1)C1=CC=CC=C1)C=1C=CC=CC1)C1=CC=CC=C1)C=1C=CC(=CC1)C=1C=CC(C#CC(O)(C)C)=CC1