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Phenanthro[9,10-b]triphenylene, 9,18-diphenyl-, (.+-.)-
SpectraBase Compound ID 5fVaab0NRif
InChI InChI=1S/C42H26/c1-3-15-27(16-4-1)37-39-33-23-11-7-19-29(33)31-21-9-13-25-35(31)41(39)38(28-17-5-2-6-18-28)42-36-26-14-10-22-32(36)30-20-8-12-24-34(30)40(37)42/h1-26H
InChIKey LGSIHMILCIXKAV-UHFFFAOYSA-N
Mol Weight 530.7 g/mol
Molecular Formula C42H26
Exact Mass 530.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8ibfJGXjzx
Name Phenanthro[9,10-b]triphenylene, 9,18-diphenyl-, (.+-.)-
Alternate Name(s) 9,18-diphenylphenanthro[9,10-b]triphenylene 9,18-Diphenyltetrabenz[a,c,H,j]anthracine
CAS Registry Number 108868-42-4
Comments Less than 3 mono-isotopic peaks
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Formula C42H26
InChI InChI=1S/C42H26/c1-3-15-27(16-4-1)37-39-33-23-11-7-19-29(33)31-21-9-13-25-35(31)41(39)38(28-17-5-2-6-18-28)42-36-26-14-10-22-32(36)30-20-8-12-24-34(30)40(37)42/h1-26H
InChIKey LGSIHMILCIXKAV-UHFFFAOYSA-N
Molecular Weight 530.670 g/mol
SMILES c12c(c(-c3ccccc3)c3c(c1-c1ccccc1)c1c(c4ccccc34)cccc1)c1ccccc1c1c2cccc1
SPLASH splash10-001i-0000190000-c09c220656a029b02bae
Source of Spectrum C-109-4663-4
Wiley ID 1403428