| SpectraBase Compound ID | F4WzG5nFlaI |
|---|---|
| InChI | InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h1,3-6,8H,7H2/b4-3+,6-5+ |
| InChIKey | NAGGDXNHDQXVTI-VNKDHWASSA-N |
| Mol Weight | 108.14 g/mol |
| Molecular Formula | C7H8O |
| Exact Mass | 108.057515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6Pre9uoG6g |
|---|---|
| Name | 2,4-Heptadien-6-yn-1-ol, (E,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.057514877 u |
| Formula | C7H8O |
| InChI | InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h1,3-6,8H,7H2/b4-3+,6-5+ |
| InChIKey | NAGGDXNHDQXVTI-VNKDHWASSA-N |
| Molecular Weight | 108.140 g/mol |
| SMILES | C(\C=C\C=C\CO)#C |