![Hexakis[2-(1-adammantyl)ethenyl]benzene](/api/spectrum/JYzejc7l9xE/structure.png?h=300&w=458 "Hexakis[2-(1-adammantyl)ethenyl]benzene")
| SpectraBase Compound ID | AzmF83PMhYz |
|---|---|
| InChI | InChI=1S/C78H102/c1(7-73-31-49-13-50(32-73)15-51(14-49)33-73)67-68(2-8-74-34-52-16-53(35-74)18-54(17-52)36-74)70(4-10-76-40-58-22-59(41-76)24-60(23-58)42-76)72(6-12-78-46-64-28-65(47-78)30-66(29-64)48-78)71(5-11-77-43-61-25-62(44-77)27-63(26-61)45-77)69(67)3-9-75-37-55-19-56(38-75)21-57(20-55)39-75/h1-12,49-66H,13-48H2/b7-1+,8-2+,9-3+,10-4+,11-5+,12-6+/t49-,50+,51-,52-,53?,54?,55?,56?,57?,58?,59?,60?,61-,62?,63?,64-,65+,66-,73+,74?,75?,76?,77?,78+ |
| InChIKey | RTOXKBZAQKOQDL-LDFOCLOGSA-N |
| Mol Weight | 1039.7 g/mol |
| Molecular Formula | C78H102 |
| Exact Mass | 1038.798153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JYzejc7l9xE |
|---|---|
| Name | Hexakis[2-(1-adammantyl)ethenyl]benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C78H102 |
| InChI | InChI=1S/C78H102/c1(7-73-31-49-13-50(32-73)15-51(14-49)33-73)67-68(2-8-74-34-52-16-53(35-74)18-54(17-52)36-74)70(4-10-76-40-58-22-59(41-76)24-60(23-58)42-76)72(6-12-78-46-64-28-65(47-78)30-66(29-64)48-78)71(5-11-77-43-61-25-62(44-77)27-63(26-61)45-77)69(67)3-9-75-37-55-19-56(38-75)21-57(20-55)39-75/h1-12,49-66H,13-48H2/b7-1+,8-2+,9-3+,10-4+,11-5+,12-6+/t49-,50+,51-,52-,53?,54?,55?,56?,57?,58?,59?,60?,61-,62?,63?,64-,65+,66-,73+,74?,75?,76?,77?,78+ |
| InChIKey | RTOXKBZAQKOQDL-LDFOCLOGSA-N |
| Molecular Weight | 1039.674 g/mol |
| SMILES | c1(c(c(\C=C\C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])c(c(c1\C=C\C12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H])\C=C\C12CC3CC(C2)CC(C1)C3)\C=C\C12CC3CC(C2)CC(C1)C3)\C=C\C12CC3CC(C1)CC(C2)C3)\C=C\C12CC3CC(C2)CC(C1)C3 |
| SPLASH | splash10-0fri-4900004709-e681c8936e189aac1e94 |
| Source of Spectrum | QE-11-316-1 |
| Wiley ID | 1586522 |