| SpectraBase Compound ID | AFrcDwIGvUk |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-6(9)4-5-7(2)11-8(3)10/h4-7,9H,1-3H3/b5-4+/t6-,7+/m0/s1 |
| InChIKey | PJURXQBASVFKJG-LYNIJRAASA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZC70sLtB2X |
|---|---|
| Name | (+-)-(E)-(2S,5R)-5-acetoxy-3-hexen-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-6(9)4-5-7(2)11-8(3)10/h4-7,9H,1-3H3/b5-4+/t6-,7+/m0/s1 |
| InChIKey | PJURXQBASVFKJG-LYNIJRAASA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(O[C@@](\C=C\[C@@](O)(C)[H])(C)[H])(=O)C |