| SpectraBase Compound ID | HamRDE4PIm3 |
|---|---|
| InChI | InChI=1S/C12H6/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H/b2-1-,9-7-,10-8- |
| InChIKey | UOUMCHBFMPSEMC-MOLCZBCNSA-N |
| Mol Weight | 150.18 g/mol |
| Molecular Formula | C12H6 |
| Exact Mass | 150.04695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FX60ZAez1B1 |
|---|---|
| Name | 1,5,9-Cyclododecatriene-3,7,11-triyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.046950193 u |
| Formula | C12H6 |
| InChI | InChI=1S/C12H6/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H/b2-1-,9-7-,10-8- |
| InChIKey | UOUMCHBFMPSEMC-MOLCZBCNSA-N |
| Molecular Weight | 150.180 g/mol |
| SMILES | C#1\C=C/C#C\C=C/C#C\C=C/C1 |