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

SpectraBase Compound ID	HNLo2WFyydm
InChI	InChI=1S/C52H48/c1-37-5-13-41(14-6-37)21-25-45-33-50-31-32-52-36-47(27-23-43-17-9-39(3)10-18-43)51(35-48(52)28-24-44-19-11-40(4)12-20-44)30-29-49(45)34-46(50)26-22-42-15-7-38(2)8-16-42/h5-28,33-36H,29-32H2,1-4H3/b25-21+,26-22+,27-23+,28-24+
InChIKey	BGCCCBICEMRMFO-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	2MJBLlJOVc
Name	4,7,12,15-Tetra( p-methylstyryl) [2.2] paracyclophane
Alternate Name(s)	5,11,13,15-tetrakis[(E)-2-(4-methylphenyl)ethenyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C52H48
InChI	InChI=1S/C52H48/c1-37-5-13-41(14-6-37)21-25-45-33-50-31-32-52-36-47(27-23-43-17-9-39(3)10-18-43)51(35-48(52)28-24-44-19-11-40(4)12-20-44)30-29-49(45)34-46(50)26-22-42-15-7-38(2)8-16-42/h5-28,33-36H,29-32H2,1-4H3/b25-21+,26-22+,27-23+,28-24+
InChIKey	BGCCCBICEMRMFO-OBCUGYALSA-N
Molecular Weight	672.956 g/mol
SMILES	c1(\C=C\c2ccc(cc2)C)c2cc(c(c1)CCc1c(\C=C\c3ccc(cc3)C)cc(c(\C=C\c3ccc(cc3)C)c1)CC2)\C=C\c1ccc(cc1)C
SPLASH	splash10-00dr-0005009000-a71ab2bbf3255ca70a8e
Source of Spectrum	K-126-1648-7
Wiley ID	1414036