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Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,11-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]-1-methylpropyl]-
SpectraBase Compound ID 7p7NmWyQJkn
InChI InChI=1S/C52H72/c1-33(41-27-43(49(5,6)7)31-44(28-41)50(8,9)10)35(3)47-25-37-17-21-39(47)23-19-38-18-22-40(24-20-37)48(26-38)36(4)34(2)42-29-45(51(11,12)13)32-46(30-42)52(14,15)16/h17-18,21-22,25-36H,19-20,23-24H2,1-16H3
InChIKey ADHHLYLXLLAVPK-UHFFFAOYSA-N
Mol Weight 697.1 g/mol
Molecular Formula C52H72
Exact Mass 696.563402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtCXr1t3hXy
Name Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,11-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]-1-methylpropyl]-
CAS Registry Number 133348-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H72
InChI InChI=1S/C52H72/c1-33(41-27-43(49(5,6)7)31-44(28-41)50(8,9)10)35(3)47-25-37-17-21-39(47)23-19-38-18-22-40(24-20-37)48(26-38)36(4)34(2)42-29-45(51(11,12)13)32-46(30-42)52(14,15)16/h17-18,21-22,25-36H,19-20,23-24H2,1-16H3
InChIKey ADHHLYLXLLAVPK-UHFFFAOYSA-N
Molecular Weight 697.148 g/mol
SMILES c1(C(C(c2c3CCc4cc(c(CCc(c2)cc3)cc4)C(C(c2cc(C(C)(C)C)cc(c2)C(C)(C)C)C)C)C)C)cc(C(C)(C)C)cc(c1)C(C)(C)C
SPLASH splash10-0aor-9070000000-bebba13d59a5a0f72806
Source of Spectrum C-113-2647-0
Synonyms 2,5'-bis{[3,5-di(t-butyl)phenyl]-.alpha.,.beta.-dimethylethyl}[2.2]paracyclophane 5,11-bis[2-(3,5-ditert-butylphenyl)-1-methylpropyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Wiley ID 1414959