| SpectraBase Compound ID | Kj6tzZ6K97Y |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h4,6-7,9H,3,5H2,1-2H3/b6-4+ |
| InChIKey | ZVXVRZZECWGGIC-GQCTYLIASA-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 | DknpF7Wa1im |
|---|---|
| Name | Ethyl 5-hydroxyhex-2-enoate |
| 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/c1-3-11-8(10)6-4-5-7(2)9/h4,6-7,9H,3,5H2,1-2H3/b6-4+ |
| InChIKey | ZVXVRZZECWGGIC-GQCTYLIASA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(\C=C\CC(C)O)(=O)OCC |