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[(R,R)-3,3'-Bis[(3,4-(phenylene)hexa-1,5-diyndiyl]-2,2'-bi-(2-naphthol)] dimer [1,2-phenylene-1,1'-bis(3,3'-diethynyl)-1,1'-bi-2-naphthol) dimer]

View entire compound with spectra: 1 MS (GC)

[(R,R)-3,3'-Bis[(3,4-(phenylene)hexa-1,5-diyndiyl]-2,2'-bi-(2-naphthol)] dimer [1,2-phenylene-1,1'-bis(3,3'-diethynyl)-1,1'-bi-2-naphthol) dimer]
SpectraBase Compound ID 1xJPN0gp51L
InChI InChI=1S/C60H32O4/c61-57-45-29-25-37-13-1-2-14-38(37)26-30-46-34-42-18-6-10-22-50(42)55(58(46)62)56-52-24-12-8-20-44(52)36-48(60(56)64)32-28-40-16-4-3-15-39(40)27-31-47-35-43-19-7-11-23-51(43)54(59(47)63)53(57)49-21-9-5-17-41(49)33-45/h1-24,33-36,61-64H
InChIKey BLXZSKHYZDGRMO-UHFFFAOYSA-N
Mol Weight 816.9 g/mol
Molecular Formula C60H32O4
Exact Mass 816.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IWdgQR1cNK
Name [(R,R)-3,3'-Bis[(3,4-(phenylene)hexa-1,5-diyndiyl]-2,2'-bi-(2-naphthol)] dimer [1,2-phenylene-1,1'-bis(3,3'-diethynyl)-1,1'-bi-2-naphthol) dimer]
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Formula C60H32O4
InChI InChI=1S/C60H32O4/c61-57-45-29-25-37-13-1-2-14-38(37)26-30-46-34-42-18-6-10-22-50(42)55(58(46)62)56-52-24-12-8-20-44(52)36-48(60(56)64)32-28-40-16-4-3-15-39(40)27-31-47-35-43-19-7-11-23-51(43)54(59(47)63)53(57)49-21-9-5-17-41(49)33-45/h1-24,33-36,61-64H
InChIKey BLXZSKHYZDGRMO-UHFFFAOYSA-N
Molecular Weight 816.912 g/mol
SMILES Oc1c2C#Cc3c(C#Cc4c(c(-c5c(c(C#Cc6c(C#Cc7c(c(-c1c1ccccc1c2)c1c(c7)cccc1)O)cccc6)cc1c5cccc1)O)c1c(c4)cccc1)O)cccc3
SPLASH splash10-014j-0600000090-4c178fdfeb9f7d2e0891
Source of Spectrum KD-14-3883-8
Wiley ID 1636529