| SpectraBase Compound ID | LLcwdBH1xFV |
|---|---|
| InChI | InChI=1S/C16H22/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-6,9-12H2 |
| InChIKey | SSKOYYWCFAHIEA-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C16H22 |
| Exact Mass | 214.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CeQcyrTMEXF |
|---|---|
| Name | 1,1'-Buta-1,3-diyne-1,4-diyldicyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.172150708 u |
| Formula | C16H22 |
| InChI | InChI=1S/C16H22/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h15-16H,1-6,9-12H2 |
| InChIKey | SSKOYYWCFAHIEA-UHFFFAOYSA-N |
| Molecular Weight | 214.352 g/mol |
| SMILES | C(#CC#CC1CCCCC1)C1CCCCC1 |