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4,15-bis(4'-Octylphenyl)-[2.2]paracyclophane
SpectraBase Compound ID 5gL67f740nI
InChI InChI=1S/C44H56/c1-3-5-7-9-11-13-15-35-19-25-39(26-20-35)43-33-37-17-18-38-24-30-42(32-31-41(43)29-23-37)44(34-38)40-27-21-36(22-28-40)16-14-12-10-8-6-4-2/h19-30,33-34H,3-18,31-32H2,1-2H3
InChIKey IUMZKFAIPUFYDT-UHFFFAOYSA-N
Mol Weight 584.9 g/mol
Molecular Formula C44H56
Exact Mass 584.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzYtIdZgapM
Name 4,15-bis(4'-Octylphenyl)-[2.2]paracyclophane
Alternate Name(s) 4,15-bis(4'-Octylphenyl)-[2,2]paracyclophane 5,12-bis(4-octylphenyl)tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
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Formula C44H56
InChI InChI=1S/C44H56/c1-3-5-7-9-11-13-15-35-19-25-39(26-20-35)43-33-37-17-18-38-24-30-42(32-31-41(43)29-23-37)44(34-38)40-27-21-36(22-28-40)16-14-12-10-8-6-4-2/h19-30,33-34H,3-18,31-32H2,1-2H3
InChIKey IUMZKFAIPUFYDT-UHFFFAOYSA-N
Molecular Weight 584.932 g/mol
SMILES c1(c2CCc3c(-c4ccc(cc4)CCCCCCCC)cc(CCc(c1)cc2)cc3)-c1ccc(cc1)CCCCCCCC
SPLASH splash10-002f-0960040000-e126732f1beb11897892
Source of Spectrum F9-1994-1084-6
Wiley ID 1566901