| SpectraBase Compound ID | 77Bz257mSuF |
|---|---|
| InChI | InChI=1S/C8H12O/c1-5-8(9)7(4)6(2)3/h1,6-7H,2-4H3 |
| InChIKey | ARRWPAVHMMHOOS-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 | A1XHFintCYw |
|---|---|
| Name | 1-Hexyn-3-one, 4,5-dimethyl- |
| CAS Registry Number | 81825-17-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-5-8(9)7(4)6(2)3/h1,6-7H,2-4H3 |
| InChIKey | ARRWPAVHMMHOOS-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(C(C(C(C)C)C)=O)#C |
| SPLASH | splash10-007o-9000000000-3fa035471cf8c99e852d |
| Source of Spectrum | H-65-21-0 |
| Synonyms | 4,5-Dimethyl-1-hexyn-3-one |
| Wiley ID | 1128894 |