| SpectraBase Compound ID | BEDFPh8Tjbq |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h2,7-8H,3,5-6H2,1H3/t7-/m1/s1 |
| InChIKey | SHSFXAVQBIEYMK-SSDOTTSWSA-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 | EC0qi0QBEpn |
|---|---|
| Name | (3S)-1-heptyn-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h2,7-8H,3,5-6H2,1H3/t7-/m1/s1 |
| InChIKey | SHSFXAVQBIEYMK-SSDOTTSWSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | O[C@](C#C)(CCCC)[H] |
| SPLASH | splash10-01ir-9000000000-4299c4e02df131a5fd5f |
| Source of Spectrum | C-115-11403-38 |
| Synonyms | (3S)-hept-1-yn-3-ol |
| Wiley ID | 1123516 |