| SpectraBase Compound ID | BlaqfTfFqMR |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3,6,8H,1,4-5H2,2H3 |
| InChIKey | GQZTXAIAFJXUSK-UHFFFAOYSA-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 | LPzRo1rwFbe |
|---|---|
| Name | 1-Hepten-3-one, 6-hydroxy- |
| 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/c1-3-7(9)5-4-6(2)8/h3,6,8H,1,4-5H2,2H3 |
| InChIKey | GQZTXAIAFJXUSK-UHFFFAOYSA-N |
| SMILES | C(C(=O)CCC(O)C)=C |