| SpectraBase Compound ID | pa49sD7jIw |
|---|---|
| InChI | InChI=1S/C12H18/c1-5-6-7-8-9-10-11-12(2,3)4/h5-7H2,1-4H3 |
| InChIKey | WSWDDRDGHVGAMT-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53C9dRi88UP |
|---|---|
| Name | 3,5-Decadiyne, 2,2-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-5-6-7-8-9-10-11-12(2,3)4/h5-7H2,1-4H3 |
| InChIKey | WSWDDRDGHVGAMT-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C(#CC#CCCCC)C(C)(C)C |