| SpectraBase Compound ID | JZpt4XY4LLL |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-6-8(5-2)10-7(3)9/h4-6,8H,2H2,1,3H3/b6-4+ |
| InChIKey | IVWWRPCMXAPSKX-GQCTYLIASA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Gv6FOGnbKW |
|---|---|
| Name | 1,4-Hexadien-3-ol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-4-6-8(5-2)10-7(3)9/h4-6,8H,2H2,1,3H3/b6-4+ |
| InChIKey | IVWWRPCMXAPSKX-GQCTYLIASA-N |
| SMILES | C\C=C\C(C=C)OC(C)=O |