| SpectraBase Compound ID | 9YFPGnYbCC6 |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-8(4-3-6-10)5-7-12-9(2)11/h3-5,10H,6-7H2,1-2H3/b4-3+,8-5+ |
| InChIKey | PEYZSOGWHHENHH-SALQQRKASA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 374WsO0qUsd |
|---|---|
| Name | 2,4-Hexadiene-1,6-diol, 3-methyl-, 1-acetate, (E,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-8(4-3-6-10)5-7-12-9(2)11/h3-5,10H,6-7H2,1-2H3/b4-3+,8-5+ |
| InChIKey | PEYZSOGWHHENHH-SALQQRKASA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(=O)(OC\C=C\(\C=C\CO)C)C |