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4,13-bis(Indenylidene)[2.2]paracyclophane
SpectraBase Compound ID 6WDDfoGYTqb
InChI InChI=1S/C36H28/c1-3-7-35-29(5-1)17-19-31(35)23-33-21-25-9-10-26-12-14-28(16-15-27(33)13-11-25)34(22-26)24-32-20-18-30-6-2-4-8-36(30)32/h1-8,11-14,17-24H,9-10,15-16H2/b31-23-,32-24+
InChIKey QCROAOIPVXABMX-FNKNYVMZSA-N
Mol Weight 460.6 g/mol
Molecular Formula C36H28
Exact Mass 460.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Doj4lNntWHK
Name 4,13-bis(Indenylidene)[2.2]paracyclophane
Alternate Name(s) 5-[(E)-1H-inden-1-ylidenemethyl]-12-[(Z)-1H-inden-1-ylidenemethyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
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Formula C36H28
InChI InChI=1S/C36H28/c1-3-7-35-29(5-1)17-19-31(35)23-33-21-25-9-10-26-12-14-28(16-15-27(33)13-11-25)34(22-26)24-32-20-18-30-6-2-4-8-36(30)32/h1-8,11-14,17-24H,9-10,15-16H2/b31-23-,32-24+
InChIKey QCROAOIPVXABMX-FNKNYVMZSA-N
Molecular Weight 460.620 g/mol
SMILES c1(\C=C/2C=Cc3c2cccc3)c2CCc3c(\C=C\4C=Cc5c4cccc5)cc(CCc(c1)cc2)cc3
SPLASH splash10-0059-0090100000-f31d8ef30e0873367a65
Source of Spectrum K1-2000-2708-26
Wiley ID 750007