| SpectraBase Compound ID | JVsX4ZKvdjV |
|---|---|
| InChI | InChI=1S/C9H14/c1-5-6-7-8-9(2,3)4/h5H,1,6H2,2-4H3 |
| InChIKey | QRHNYBRFNGHGDC-UHFFFAOYSA-N |
| Mol Weight | 122.21 g/mol |
| Molecular Formula | C9H14 |
| Exact Mass | 122.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Kuto5FjgLA |
|---|---|
| Name | 1-Hepten-4-yne, 6,6-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.109550451 u |
| Formula | C9H14 |
| InChI | InChI=1S/C9H14/c1-5-6-7-8-9(2,3)4/h5H,1,6H2,2-4H3 |
| InChIKey | QRHNYBRFNGHGDC-UHFFFAOYSA-N |
| Molecular Weight | 122.211 g/mol |
| SMILES | C(#CCC=C)C(C)(C)C |