4,7,12,15-Tetrastyryl [2.2] paracyclophane

SpectraBase Compound ID	5K7RifRAI0k
InChI	InChI=1S/C48H40/c1-5-13-37(14-6-1)21-25-41-33-46-31-32-48-36-43(27-23-39-17-9-3-10-18-39)47(35-44(48)28-24-40-19-11-4-12-20-40)30-29-45(41)34-42(46)26-22-38-15-7-2-8-16-38/h1-28,33-36H,29-32H2/b25-21-,26-22+,27-23+,28-24+
InChIKey	SGAYLVYNEQCTPZ-UAZYISNPSA-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	GjV4yDzuMxf
Name	4,7,12,15-Tetrastyryl [2.2] paracyclophane
Alternate Name(s)	5,11,13-tris[(E)-2-phenylethenyl]-15-[(Z)-2-phenylethenyl]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	C48H40
InChI	InChI=1S/C48H40/c1-5-13-37(14-6-1)21-25-41-33-46-31-32-48-36-43(27-23-39-17-9-3-10-18-39)47(35-44(48)28-24-40-19-11-4-12-20-40)30-29-45(41)34-42(46)26-22-38-15-7-2-8-16-38/h1-28,33-36H,29-32H2/b25-21-,26-22+,27-23+,28-24+
InChIKey	SGAYLVYNEQCTPZ-UAZYISNPSA-N
Molecular Weight	616.848 g/mol
SMILES	c1(\C=C/c2ccccc2)c2cc(c(c1)CCc1c(\C=C\c3ccccc3)cc(c(\C=C\c3ccccc3)c1)CC2)\C=C\c1ccccc1
SPLASH	splash10-0a4i-0009001000-20a3fbbc430c007e70aa
Source of Spectrum	K-126-1648-7
Wiley ID	1411359