| SpectraBase Compound ID | 1xNwyeFTwCp |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h7,9H,3-5H2,1-2H3 |
| InChIKey | MQRALIJAASQPNT-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7P7WkmBpGz1 |
|---|---|
| Name | 5-Hydroxy-2-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h7,9H,3-5H2,1-2H3 |
| InChIKey | MQRALIJAASQPNT-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C(=O)(CCC(O)CC)C |