| SpectraBase Compound ID | JTa1r2u8K5K |
|---|---|
| InChI | InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h6-8H,1-3H3 |
| InChIKey | PTDRERHMUFABMH-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KASpf8P3cVB |
|---|---|
| Name | 3-Hexyn-2-ol, 5-methyl- |
| CAS Registry Number | 23293-50-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h6-8H,1-3H3 |
| InChIKey | PTDRERHMUFABMH-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | OC(C#CC(C)C)C |
| SPLASH | splash10-00kb-9000000000-8107a774c2af7944f01e |
| Source of Spectrum | KC-1987-2271-0 |
| Synonyms | 5-Methyl-3-hexyn-2-ol 5-Methylhex-3-yn-2-ol |
| Wiley ID | 1123391 |