| SpectraBase Compound ID | DZYjeo0wPPt |
|---|---|
| InChI | InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+ |
| InChIKey | KAGUESUDHDXNCN-YDFGWWAZSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C13H10 |
| Exact Mass | 166.07825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fsjjuVkXai |
|---|---|
| Name | (3E,11E)-Trideca-1,3,11-trien-5,7,9-triyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.078250322 u |
| Formula | C13H10 |
| InChI | InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4+,7-5+ |
| InChIKey | KAGUESUDHDXNCN-YDFGWWAZSA-N |
| Molecular Weight | 166.223 g/mol |
| SMILES | C(#CC#C\C=C\C)C#C\C=C\C=C |