| SpectraBase Compound ID | 1sOwFHcZ1Qx |
|---|---|
| InChI | InChI=1S/C7H8O/c1-3-4-5-6-7(2)8/h3H,1,4H2,2H3 |
| InChIKey | JBLULCCSGBOSSA-UHFFFAOYSA-N |
| Mol Weight | 108.14 g/mol |
| Molecular Formula | C7H8O |
| Exact Mass | 108.057515 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3cxmHitzKFW |
|---|---|
| Name | Hept-6-en-3-yn-2-one |
| Alternate Name(s) | 2-Hept-6-en-3-ynone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8O |
| InChI | InChI=1S/C7H8O/c1-3-4-5-6-7(2)8/h3H,1,4H2,2H3 |
| InChIKey | JBLULCCSGBOSSA-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/jo301028b |
| Molecular Weight | 108.140 g/mol |
| SMILES | C(C#CCC=C)(=O)C |
| SPLASH | splash10-00kf-9000000000-1caeec37e41bce810a0c |
| Source of Spectrum | J-77-8381-7g |
| Wiley ID | 1745204 |