| SpectraBase Compound ID | 4NyYdHF2QD1 |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-4,6,8H,5H2,1-2H3/b4-3+ |
| InChIKey | URLFXTNOVJHWDW-ONEGZZNKSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HubQsm5sxse |
|---|---|
| Name | (E)-6-Hydroxy-2-hepten-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-4,6,8H,5H2,1-2H3/b4-3+ |
| InChIKey | URLFXTNOVJHWDW-ONEGZZNKSA-N |
| SMILES | CC(CC(\C=C\C)=O)O |