| SpectraBase Compound ID | 5AtFYCk2reU |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h1,7-8H,4-6H2,2H3/t7-/m1/s1 |
| InChIKey | LYXYBSYXGARUEA-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 | Ly61MsFzLLr |
|---|---|
| Name | (S)-Hep-1-yn-4-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h1,7-8H,4-6H2,2H3/t7-/m1/s1 |
| InChIKey | LYXYBSYXGARUEA-SSDOTTSWSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | O[C@](CC#C)(CCC)[H] |
| SPLASH | splash10-0a4l-9000000000-e63238e93bf0568116da |
| Source of Spectrum | F-70-3061-9 |
| Synonyms | (4S)-1-heptyn-4-ol (4S)-hept-1-yn-4-ol |
| Wiley ID | 1596657 |