| SpectraBase Compound ID | 5h1qE7ZQgxo |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3-4H2,1-2H3 |
| InChIKey | AGSTXVGLHQAXQK-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 | 1poiEqVvWRD |
|---|---|
| Name | 3-Heptyn-2-ol |
| Alternate Name(s) | Hept-3-yn-2-ol |
| CAS Registry Number | 56699-62-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3-4H2,1-2H3 |
| InChIKey | AGSTXVGLHQAXQK-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | OC(C#CCCC)C |
| SPLASH | splash10-002f-9000000000-3acb1052b73177f874f3 |
| Source of Spectrum | XW-116-0-0 |
| Wiley ID | 1123383 |