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2,8-Diphenyl-11-methyl-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocin-11-ium iodide
SpectraBase Compound ID 6XpUC4YdSNq
InChI InChI=1S/C28H25N2.HI/c1-30-19-26-17-23(21-8-4-2-5-9-21)12-14-27(26)29(20-30)18-25-16-24(13-15-28(25)30)22-10-6-3-7-11-22;/h2-17H,18-20H2,1H3;1H/q+1;/p-1
InChIKey HQFRADBAGLUZGF-UHFFFAOYSA-M
Mol Weight 516.43 g/mol
Molecular Formula C28H25IN2
Exact Mass 516.106244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSQnzcoPjpv
Name 2,8-Diphenyl-11-methyl-5,6,11,12-tetrahydro-5,11-methanodibenzo[b,f][1,5]diazocin-11-ium iodide
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Formula C28H25IN2
InChI InChI=1S/C28H25N2.HI/c1-30-19-26-17-23(21-8-4-2-5-9-21)12-14-27(26)29(20-30)18-25-16-24(13-15-28(25)30)22-10-6-3-7-11-22;/h2-17H,18-20H2,1H3;1H/q+1;/p-1
InChIKey HQFRADBAGLUZGF-UHFFFAOYSA-M
Molecular Weight 516.426 g/mol
SMILES [I-].C1[N+]2(Cc3c(N1Cc1c2ccc(-c2ccccc2)c1)ccc(c3)-c1ccccc1)C
SPLASH splash10-006x-0905000000-27372328fd88becb3316
Source of Spectrum KC-0-48-1
Synonyms 1-Methyl-5,13-diphenyl-9-aza-1-azoniatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene iodide
Wiley ID 820679