| SpectraBase Compound ID | AulGADm7PsW |
|---|---|
| InChI | InChI=1S/C7H10/c1-4-5-6-7(2)3/h2,4H2,1,3H3 |
| InChIKey | IXPWKHNDQICVPZ-UHFFFAOYSA-N |
| Mol Weight | 94.16 g/mol |
| Molecular Formula | C7H10 |
| Exact Mass | 94.07825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaBGxltBtnQ |
|---|---|
| Name | 2-Methyl-1-hexen-3-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 94.078250322 u |
| Formula | C7H10 |
| InChI | InChI=1S/C7H10/c1-4-5-6-7(2)3/h2,4H2,1,3H3 |
| InChIKey | IXPWKHNDQICVPZ-UHFFFAOYSA-N |
| Molecular Weight | 94.157 g/mol |
| SMILES | C(C)C#CC(=C)C |