| SpectraBase Compound ID | 2vVrfjkDRWX |
|---|---|
| InChI | InChI=1S/C7H6/c1-3-5-7-6-4-2/h1,4,6H,2H3/b6-4+ |
| InChIKey | TXJLPLPBOFYCNP-GQCTYLIASA-N |
| Mol Weight | 90.12 g/mol |
| Molecular Formula | C7H6 |
| Exact Mass | 90.04695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6W9tHws6Lqh |
|---|---|
| Name | Trans-5-heptene-1,3-diyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 90.046950193 u |
| Formula | C7H6 |
| InChI | InChI=1S/C7H6/c1-3-5-7-6-4-2/h1,4,6H,2H3/b6-4+ |
| InChIKey | TXJLPLPBOFYCNP-GQCTYLIASA-N |
| Molecular Weight | 90.125 g/mol |
| SMILES | C(\C=C\C)#CC#C |