| SpectraBase Compound ID | 4DWQJGAUnTR |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-7-8(9,5-2)6-3/h9H,5-6H2,1-3H3 |
| InChIKey | ZCIKRKJGBHVUTK-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HUv8Qg5sEn5 |
|---|---|
| Name | 3-ethyl-4-hexyn-3-ol |
| Alternate Name(s) | 3-ethylhex-4-yn-3-ol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-7-8(9,5-2)6-3/h9H,5-6H2,1-3H3 |
| InChIKey | ZCIKRKJGBHVUTK-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | OC(C#CC)(CC)CC |
| SPLASH | splash10-0002-9000000000-8128c9580c9e79bb58f4 |
| Source of Spectrum | F-52-8292-1 |
| Wiley ID | 796909 |