4,7,12,15-Tetra( o-methylstyryl) [2.2] paracyclophane

SpectraBase Compound ID	8KKOYxkFtJB
InChI	InChI=1S/C52H48/c1-37-13-5-9-17-41(37)21-25-45-33-50-31-32-52-36-47(27-23-43-19-11-7-15-39(43)3)51(35-48(52)28-24-44-20-12-8-16-40(44)4)30-29-49(45)34-46(50)26-22-42-18-10-6-14-38(42)2/h5-28,33-36H,29-32H2,1-4H3/b25-21+,26-22+,27-23+,28-24+
InChIKey	GMCMDVPDJBRSAM-OBCUGYALSA-N Google Search
Mol Weight	673.0 g/mol
Molecular Formula	C52H48
Exact Mass	672.375602 g/mol

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SpectraBase Spectrum ID	mm8vTVRvE
Name	4,7,12,15-Tetra( o-methylstyryl) [2.2] paracyclophane
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C52H48
InChI	InChI=1S/C52H48/c1-37-13-5-9-17-41(37)21-25-45-33-50-31-32-52-36-47(27-23-43-19-11-7-15-39(43)3)51(35-48(52)28-24-44-20-12-8-16-40(44)4)30-29-49(45)34-46(50)26-22-42-18-10-6-14-38(42)2/h5-28,33-36H,29-32H2,1-4H3/b25-21+,26-22+,27-23+,28-24+
InChIKey	GMCMDVPDJBRSAM-OBCUGYALSA-N
Molecular Weight	672.956 g/mol
SMILES	c1(\C=C\c2c(C)cccc2)c2cc(c(c1)CCc1c(\C=C\c3c(C)cccc3)cc(c(\C=C\c3c(C)cccc3)c1)CC2)\C=C\c1c(C)cccc1
SPLASH	splash10-0079-0009005000-8727d73a4f5f0d21a777
Source of Spectrum	K-126-1648-7
Synonyms	5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Wiley ID	1414038