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4,16-bis(4'-Octylphenyl)-[2.2]paracyclophane

View entire compound with spectra: 1 MS (GC)

4,16-bis(4'-Octylphenyl)-[2.2]paracyclophane
SpectraBase Compound ID 8Bkla8g7e38
InChI InChI=1S/C44H56/c1-3-5-7-9-11-13-15-35-17-25-39(26-18-35)43-33-37-21-29-41(43)31-23-38-22-30-42(32-24-37)44(34-38)40-27-19-36(20-28-40)16-14-12-10-8-6-4-2/h17-22,25-30,33-34H,3-16,23-24,31-32H2,1-2H3
InChIKey MOKRUEWOMTWUJP-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 Bi4MK4GEuIy
Name 4,16-bis(4'-Octylphenyl)-[2.2]paracyclophane
Alternate Name(s) 4,16-bis(4'-Octylphenyl)-[2,2]paracyclophane 5,11-bis(4-octylphenyl)tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H56
InChI InChI=1S/C44H56/c1-3-5-7-9-11-13-15-35-17-25-39(26-18-35)43-33-37-21-29-41(43)31-23-38-22-30-42(32-24-37)44(34-38)40-27-19-36(20-28-40)16-14-12-10-8-6-4-2/h17-22,25-30,33-34H,3-16,23-24,31-32H2,1-2H3
InChIKey MOKRUEWOMTWUJP-UHFFFAOYSA-N
Molecular Weight 584.932 g/mol
SMILES c1(c2ccc(c1)CCc1c(-c3ccc(cc3)CCCCCCCC)cc(CC2)cc1)-c1ccc(cc1)CCCCCCCC
SPLASH splash10-004i-0910010000-d4ee8430875ed2578154
Source of Spectrum F9-1994-1084-7
Wiley ID 1566900