| SpectraBase Compound ID | 6j69tbCCXdO |
|---|---|
| InChI | InChI=1S/C12H12O2/c13-11-7-3-1-4-8-12(14)10-6-2-5-9-11/h1-3,6-7,10H2 |
| InChIKey | RAFDNXSXOAXNEG-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9l0eFHzA4J5 |
|---|---|
| Name | Cyclododeca-2,8-diyne-1,7-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c13-11-7-3-1-4-8-12(14)10-6-2-5-9-11/h1-3,6-7,10H2 |
| InChIKey | RAFDNXSXOAXNEG-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C1#CCCCC(=O)C#CCCCC1=O |