| SpectraBase Compound ID | DMqGr1e4cq8 |
|---|---|
| InChI | InChI=1S/C9H18/c1-8(2)6-7-9(3,4)5/h6H,7H2,1-5H3 |
| InChIKey | HRQAGBJHQCEBBY-UHFFFAOYSA-N |
| Mol Weight | 126.24 g/mol |
| Molecular Formula | C9H18 |
| Exact Mass | 126.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 942a9m1mKLg |
|---|---|
| Name | 2-Hexene, 2,5,5-trimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.140850580 u |
| Formula | C9H18 |
| InChI | InChI=1S/C9H18/c1-8(2)6-7-9(3,4)5/h6H,7H2,1-5H3 |
| InChIKey | HRQAGBJHQCEBBY-UHFFFAOYSA-N |
| Molecular Weight | 126.243 g/mol |
| SMILES | C(C(C)(C)C)C=C(C)C |