4,5,12,13-Tetrastyryl [2.2] paracyclophane

SpectraBase Compound ID	Eu5ONE48RMo
InChI	InChI=1S/C48H40/c1-5-13-37(14-6-1)21-33-45-41-25-26-42(46(45)34-22-38-15-7-2-8-16-38)31-32-44-28-27-43(30-29-41)47(35-23-39-17-9-3-10-18-39)48(44)36-24-40-19-11-4-12-20-40/h1-28,33-36H,29-32H2/b33-21+,34-22+,35-23+,36-24+
InChIKey	AUWVYEZGNJMNER-KZFAHMCXSA-N Google Search
Mol Weight	616.8 g/mol
Molecular Formula	C48H40
Exact Mass	616.313001 g/mol

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SpectraBase Spectrum ID	H5ekvD5uNcm
Name	4,5,12,13-Tetrastyryl [2.2] paracyclophane
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H40
InChI	InChI=1S/C48H40/c1-5-13-37(14-6-1)21-33-45-41-25-26-42(46(45)34-22-38-15-7-2-8-16-38)31-32-44-28-27-43(30-29-41)47(35-23-39-17-9-3-10-18-39)48(44)36-24-40-19-11-4-12-20-40/h1-28,33-36H,29-32H2/b33-21+,34-22+,35-23+,36-24+
InChIKey	AUWVYEZGNJMNER-KZFAHMCXSA-N
Molecular Weight	616.848 g/mol
SMILES	c1(c(\C=C\c2ccccc2)c2CCc3c(c(c(CCc1cc2)cc3)\C=C\c1ccccc1)\C=C\c1ccccc1)\C=C\c1ccccc1
SPLASH	splash10-0a4i-0009000000-aee2f59e5c68aa92b0a6
Source of Spectrum	K-126-1648-6
Synonyms	5,6,11,12-tetrakis[(E)-2-phenylethenyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Wiley ID	1411360