| SpectraBase Compound ID | 5wJxeHtlP0B |
|---|---|
| InChI | InChI=1S/C8H12O/c1-5-7(9)6-8(2,3)4/h1H,6H2,2-4H3 |
| InChIKey | PWVWCMILXKUUDH-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6uvZj17tae1 |
|---|---|
| Name | 5,5-Dimethyl-1-hexyn-3-one |
| CAS Registry Number | 70640-00-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-5-7(9)6-8(2,3)4/h1H,6H2,2-4H3 |
| InChIKey | PWVWCMILXKUUDH-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(#C)C(=O)CC(C)(C)C |
| SPLASH | splash10-0udl-9000000000-785d499db857b28f57b3 |
| Source of Spectrum | H-62-862-0 |
| Wiley ID | 1128895 |