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1,6,9,14,17,22-Hexamethoxytetracyclo[20.2.2.2(6,9).2(14,17)]triaconta-7,15,23,25,27,29-hexaene-2,4,10,12,18,20-hexayne
SpectraBase Compound ID GfuxbD1hrU6
InChI InChI=1S/C36H30O6/c1-37-31-13-7-8-14-33(39-3)23-25-35(41-5,26-24-33)17-11-12-18-36(42-6)29-27-34(40-4,28-30-36)16-10-9-15-32(38-2,21-19-31)22-20-31/h19-30H,1-6H3/t31-,32+,33-,34?,35+,36?
InChIKey VQDQEJANARBYRA-TYUDNZGNSA-N
Mol Weight 558.6 g/mol
Molecular Formula C36H30O6
Exact Mass 558.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gqEaPZSb92
Name 1,6,9,14,17,22-Hexamethoxytetracyclo[20.2.2.2(6,9).2(14,17)]triaconta-7,15,23,25,27,29-hexaene-2,4,10,12,18,20-hexayne
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Formula C36H30O6
InChI InChI=1S/C36H30O6/c1-37-31-13-7-8-14-33(39-3)23-25-35(41-5,26-24-33)17-11-12-18-36(42-6)29-27-34(40-4,28-30-36)16-10-9-15-32(38-2,21-19-31)22-20-31/h19-30H,1-6H3/t31-,32+,33-,34?,35+,36?
InChIKey VQDQEJANARBYRA-TYUDNZGNSA-N
Molecular Weight 558.630 g/mol
SMILES C12(C#CC#C[C@]3(C=C[C@@](C#CC#C[C@@]4(C=C[C@](C#CC#CC(C=C2)(C=C1)OC)(C=C4)OC)OC)(C=C3)OC)OC)OC
SPLASH splash10-004i-0000490000-9813243185b94e09ba90
Source of Spectrum K1-2003-664-12
Wiley ID 1520728