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Phenanthro[9,10-b]triphenylene, 9,18-bis[4-(1-methylethyl)phenyl]-, (.+-.)-
SpectraBase Compound ID FouH4wXX2dQ
InChI InChI=1S/C48H38/c1-29(2)31-21-25-33(26-22-31)43-45-39-17-9-5-13-35(39)37-15-7-11-19-41(37)47(45)44(34-27-23-32(24-28-34)30(3)4)48-42-20-12-8-16-38(42)36-14-6-10-18-40(36)46(43)48/h5-30H,1-4H3
InChIKey JTJADLFWFNXDMU-UHFFFAOYSA-N
Mol Weight 614.8 g/mol
Molecular Formula C48H38
Exact Mass 614.297351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tNvX3AJASb
Name Phenanthro[9,10-b]triphenylene, 9,18-bis[4-(1-methylethyl)phenyl]-, (.+-.)-
CAS Registry Number 108895-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H38
InChI InChI=1S/C48H38/c1-29(2)31-21-25-33(26-22-31)43-45-39-17-9-5-13-35(39)37-15-7-11-19-41(37)47(45)44(34-27-23-32(24-28-34)30(3)4)48-42-20-12-8-16-38(42)36-14-6-10-18-40(36)46(43)48/h5-30H,1-4H3
InChIKey JTJADLFWFNXDMU-UHFFFAOYSA-N
Molecular Weight 614.832 g/mol
SMILES c12c(c(-c3ccc(cc3)C(C)C)c3c(c1-c1ccc(cc1)C(C)C)c1c(c4ccccc34)cccc1)c1ccccc1c1c2cccc1
SPLASH splash10-0j4i-0000519000-d8c8e3cbc0d5ab7195b5
Source of Spectrum C-109-4663-14
Synonyms 1,3-bis4-(isopropylphenyl)tetrabenz[a,c,H,j]anthracine 9,18-bis(4-isopropylphenyl)phenanthro[9,10-b]triphenylene
Wiley ID 1411244