| SpectraBase Compound ID | 7JKoLLuuzsw |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-3-5-8(10)7-9(11)12-6-4-2/h2H,3,5-7H2,1H3 |
| InChIKey | ICRJJFQDDLPLGB-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7i6HrizeFjY |
|---|---|
| Name | Prop-2-ynyl 3-oxohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-3-5-8(10)7-9(11)12-6-4-2/h2H,3,5-7H2,1H3 |
| InChIKey | ICRJJFQDDLPLGB-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C(CC(CCC)=O)(=O)OCC#C |