| SpectraBase Compound ID | 3rWblXml4d3 |
|---|---|
| InChI | InChI=1S/C16H14/c1-3-9-4(1)11-5(1)10(3)15(9,11)16-12-6-2-7(12)14(16)8(2)13(6)16/h1-14H/t1-,2?,3+,4-,5+,6?,7?,8?,9+,10-,11+,12?,13?,14?,15+,16? |
| InChIKey | QAKDAQSKYVARDS-JBWXGRJFSA-N |
| Mol Weight | 206.29 g/mol |
| Molecular Formula | C16H14 |
| Exact Mass | 206.10955 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2l4fcxjXZw |
|---|---|
| Name | Bicubyl |
| Alternate Name(s) | 1-(1-Cubanyl)cubane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H14 |
| InChI | InChI=1S/C16H14/c1-3-9-4(1)11-5(1)10(3)15(9,11)16-12-6-2-7(12)14(16)8(2)13(6)16/h1-14H/t1-,2?,3+,4-,5+,6?,7?,8?,9+,10-,11+,12?,13?,14?,15+,16? |
| InChIKey | QAKDAQSKYVARDS-JBWXGRJFSA-N |
| Molecular Weight | 206.288 g/mol |
| SMILES | C12(C34C5C6C4C4C3C5C64)[C@]3([C@]4([C@@]2([C@]2([C@@]1([C@@]3(C42)[H])[H])[H])[H])[H])[H] |
| SPLASH | splash10-0a6u-6970000000-34bd1b94c644fcd9cb5b |
| Source of Spectrum | C-121-4121-20 |
| Wiley ID | 1702451 |