4,7,12(15)-Tristyryl[2.2]paracyclophane

SpectraBase Compound ID	8FO2AAeZWst
InChI	InChI=1S/C40H34/c1-4-10-31(11-5-1)16-22-36-28-34-19-21-35(36)26-27-40-30-37(23-17-32-12-6-2-7-13-32)39(25-20-34)29-38(40)24-18-33-14-8-3-9-15-33/h1-19,21-24,28-30H,20,25-27H2/b22-16+,23-17+,24-18+
InChIKey	KTAYOMTZHAFNHD-GOQATJGESA-N Google Search
Mol Weight	514.7 g/mol
Molecular Formula	C40H34
Exact Mass	514.266051 g/mol

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SpectraBase Spectrum ID	HVZrmRZL9wo
Name	4,7,12(15)-Tristyryl[2.2]paracyclophane
Alternate Name(s)	5,11,13-tris[(E)-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	C40H34
InChI	InChI=1S/C40H34/c1-4-10-31(11-5-1)16-22-36-28-34-19-21-35(36)26-27-40-30-37(23-17-32-12-6-2-7-13-32)39(25-20-34)29-38(40)24-18-33-14-8-3-9-15-33/h1-19,21-24,28-30H,20,25-27H2/b22-16+,23-17+,24-18+
InChIKey	KTAYOMTZHAFNHD-GOQATJGESA-N
Molecular Weight	514.712 g/mol
SMILES	c1(\C=C\c2ccccc2)c2cc(c(c1)CCc1c(\C=C\c3ccccc3)cc(CC2)cc1)\C=C\c1ccccc1
SPLASH	splash10-0bt9-0008090000-a9fe0fa8781fee225fa5
Source of Spectrum	K-126-1649-11
Wiley ID	1401257