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5,8-Diphenyl[6](1,4)naphthalenophane

View entire compound with spectra: 1 MS (GC)

5,8-Diphenyl[6](1,4)naphthalenophane
SpectraBase Compound ID CXwykSuiKsi
InChI InChI=1S/C28H26/c1-2-6-16-24-18-17-23(15-5-1)27-25(21-11-7-3-8-12-21)19-20-26(28(24)27)22-13-9-4-10-14-22/h3-4,7-14,17-20H,1-2,5-6,15-16H2
InChIKey YLEKCVTWWWGXHE-UHFFFAOYSA-N
Mol Weight 362.52 g/mol
Molecular Formula C28H26
Exact Mass 362.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qjdF6s7qd6
Name 5,8-Diphenyl[6](1,4)naphthalenophane
Comments Less than 3 mono-isotopic peaks
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Formula C28H26
InChI InChI=1S/C28H26/c1-2-6-16-24-18-17-23(15-5-1)27-25(21-11-7-3-8-12-21)19-20-26(28(24)27)22-13-9-4-10-14-22/h3-4,7-14,17-20H,1-2,5-6,15-16H2
InChIKey YLEKCVTWWWGXHE-UHFFFAOYSA-N
Molecular Weight 362.516 g/mol
SMILES c12c(c(-c3ccccc3)ccc1-c1ccccc1)c1CCCCCCc2cc1
SPLASH splash10-00di-0090000000-d8309d0ea4afc4e27b78
Source of Spectrum AJ-70-1941-1
Synonyms 3,6-diphenyltricyclo[6.6.2.0(2,7)]hexadeca-1,3,5,7,15-pentaene 9,10-Diphenyl[6](1,4)naphthalenophane
Wiley ID 774149