| SpectraBase Compound ID | IbqU5vVdrSm |
|---|---|
| InChI | InChI=1S/C7H10/c1-3-5-7-6-4-2/h1,5,7H,4,6H2,2H3/b7-5+ |
| InChIKey | LXPWTZWMHUCANN-FNORWQNLSA-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 | AxaSUCywjfV |
|---|---|
| Name | 3-Hepten-1-yne, (E)- |
| 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/c1-3-5-7-6-4-2/h1,5,7H,4,6H2,2H3/b7-5+ |
| InChIKey | LXPWTZWMHUCANN-FNORWQNLSA-N |
| Molecular Weight | 94.157 g/mol |
| SMILES | C(\C=C\C#C)CC |