| SpectraBase Compound ID | DqeaFeq3hnN |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3/t7-/m0/s1 |
| InChIKey | CXVIEBMEWKSONY-ZETCQYMHSA-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 | z3xGuyTya |
|---|---|
| Name | (S)-hept-4-yn-2-ol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3/t7-/m0/s1 |
| InChIKey | CXVIEBMEWKSONY-ZETCQYMHSA-N |
| Literature Reference DOI | 10.1021/ol800137f |
| Molecular Weight | 112.172 g/mol |
| SMILES | O[C@@](C)(CC#CCC)[H] |
| SPLASH | splash10-014i-9000000000-dfa133650483b94f2908 |
| Source of Spectrum | A1-10-1533/SMS6-15 |
| Synonyms | (2S)-4-heptyn-2-ol |
| Wiley ID | 1759265 |