1,2-Diphenyl-(2,26)-[36]paracyclophan-1-ene

SpectraBase Compound ID	58PGT0A9Z3J
InChI	InChI=1S/C52H70/c1-2-4-6-8-10-12-14-16-18-20-22-26-32-46-39-43-50(44-40-46)52(48-35-29-24-30-36-48)51(47-33-27-23-28-34-47)49-41-37-45(38-42-49)31-25-21-19-17-15-13-11-9-7-5-3-1/h23-24,27-30,33-44H,1-22,25-26,31-32H2/b52-51-
InChIKey	SCNZCCGTBOCHEM-LLSHYXBFSA-N Google Search
Mol Weight	695.1 g/mol
Molecular Formula	C52H70
Exact Mass	694.547752 g/mol

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SpectraBase Spectrum ID	BGCIibKV4GL
Name	1,2-Diphenyl-(2,26)-[36]paracyclophan-1-ene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C52H70
InChI	InChI=1S/C52H70/c1-2-4-6-8-10-12-14-16-18-20-22-26-32-46-39-43-50(44-40-46)52(48-35-29-24-30-36-48)51(47-33-27-23-28-34-47)49-41-37-45(38-42-49)31-25-21-19-17-15-13-11-9-7-5-3-1/h23-24,27-30,33-44H,1-22,25-26,31-32H2/b52-51-
InChIKey	SCNZCCGTBOCHEM-LLSHYXBFSA-N
Molecular Weight	695.132 g/mol
SMILES	c12\C(=C/(c3ccc(CCCCCCCCCCCCCCCCCCCCCCCCCCc(cc2)cc1)cc3)c1ccccc1)c1ccccc1
SPLASH	splash10-0007-0000009000-09d867ebebdf93384dd3
Source of Spectrum	C-117-4475-28
Wiley ID	1697680