| SpectraBase Compound ID | 5y2qX9q4y2j |
|---|---|
| InChI | InChI=1S/C13H28/c1-6-8-9-12(3)10-11-13(4,5)7-2/h12H,6-11H2,1-5H3 |
| InChIKey | RPWJFKHUYQVXBW-UHFFFAOYSA-N |
| Mol Weight | 184.37 g/mol |
| Molecular Formula | C13H28 |
| Exact Mass | 184.219101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiVfRrktjvX |
|---|---|
| Name | Decane, 3,3,6-trimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.219100902 u |
| Formula | C13H28 |
| InChI | InChI=1S/C13H28/c1-6-8-9-12(3)10-11-13(4,5)7-2/h12H,6-11H2,1-5H3 |
| InChIKey | RPWJFKHUYQVXBW-UHFFFAOYSA-N |
| Molecular Weight | 184.367 g/mol |
| SMILES | C(CC(CCCC)C)C(CC)(C)C |