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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]ethenyl]-, stereoisomer
SpectraBase Compound ID KWFz58ICjBg
InChI InChI=1S/C48H60/c1-45(2,3)41-26-35(27-42(31-41)46(4,5)6)18-21-38-25-34-15-13-33(14-16-34)17-20-37-23-24-40(38)30-39(37)22-19-36-28-43(47(7,8)9)32-44(29-36)48(10,11)12/h13-16,18-19,21-24,26-32,38H,17,20,25H2,1-12H3/b21-18+,22-19+
InChIKey WLUILMNYZODBRP-MGJZZARISA-N
Mol Weight 637.0 g/mol
Molecular Formula C48H60
Exact Mass 636.469502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IF6hll2YdC3
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]ethenyl]-, stereoisomer
Alternate Name(s) 2,11-bis[(E)-2-(3,5-ditert-butylphenyl)ethenyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene 2,5'-bis(3,5-di-tert-butylstyryl)[2.2]paracyclophane
CAS Registry Number 133442-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H60
InChI InChI=1S/C48H60/c1-45(2,3)41-26-35(27-42(31-41)46(4,5)6)18-21-38-25-34-15-13-33(14-16-34)17-20-37-23-24-40(38)30-39(37)22-19-36-28-43(47(7,8)9)32-44(29-36)48(10,11)12/h13-16,18-19,21-24,26-32,38H,17,20,25H2,1-12H3/b21-18+,22-19+
InChIKey WLUILMNYZODBRP-MGJZZARISA-N
Molecular Weight 637.008 g/mol
SMILES c1(cc(C(C)(C)C)cc(\C=C\C2c3cc(\C=C\c4cc(C(C)(C)C)cc(c4)C(C)(C)C)c(cc3)CCc3ccc(C2)cc3)c1)C(C)(C)C
SPLASH splash10-000i-2002009000-4b19f3da2dda2019c70a
Source of Spectrum C-113-2645-4
Wiley ID 1412429