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

SpectraBase Compound ID	BAb6FvLGWM
InChI	InChI=1S/C52H48/c1-37-9-5-13-41(29-37)17-21-45-33-50-27-28-52-36-47(23-19-43-15-7-11-39(3)31-43)51(35-48(52)24-20-44-16-8-12-40(4)32-44)26-25-49(45)34-46(50)22-18-42-14-6-10-38(2)30-42/h5-24,29-36H,25-28H2,1-4H3/b21-17+,22-18+,23-19+,24-20+
InChIKey	PYUBEUWKSDMBGH-OKNOEDMOSA-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	3VCH8rxZ7A
Name	4,7,12,15-Tetra( m-methylstyryl) [2.2] paracyclophane
Alternate Name(s)	5,11,13,15-tetrakis[(E)-2-(3-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/c1-37-9-5-13-41(29-37)17-21-45-33-50-27-28-52-36-47(23-19-43-15-7-11-39(3)31-43)51(35-48(52)24-20-44-16-8-12-40(4)32-44)26-25-49(45)34-46(50)22-18-42-14-6-10-38(2)30-42/h5-24,29-36H,25-28H2,1-4H3/b21-17+,22-18+,23-19+,24-20+
InChIKey	PYUBEUWKSDMBGH-OKNOEDMOSA-N
Molecular Weight	672.956 g/mol
SMILES	c1(\C=C\c2cc(C)ccc2)c2cc(c(c1)CCc1c(\C=C\c3cc(C)ccc3)cc(c(\C=C\c3cc(C)ccc3)c1)CC2)\C=C\c1cc(C)ccc1
SPLASH	splash10-00dr-0005009000-d5c4d0f30af1e1dce8e2
Source of Spectrum	K-126-1648-7
Wiley ID	1414037