| SpectraBase Compound ID | F84jPDkizzX |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-4-6(2)7(9)5-8(10)11-3/h6H,4-5H2,1-3H3 |
| InChIKey | XAXXMCKRKUYHNJ-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhwYxlKLJbc |
|---|---|
| Name | Methyl (4S)-4-methyl-3-oxohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-4-6(2)7(9)5-8(10)11-3/h6H,4-5H2,1-3H3 |
| InChIKey | XAXXMCKRKUYHNJ-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(CC(C(CC)C)=O)(=O)OC |