| SpectraBase Compound ID | BEufppA9VHV |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-10(2)8-11(15)9-14(13(17)18-3)7-5-4-6-12(14)16/h10H,4-9H2,1-3H3 |
| InChIKey | ZDLJGUHWNVXWFN-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4R3vsd3KnhD |
|---|---|
| Name | 1-Cyclohexanecarboxylic acid, 1-(4-methyl-2-oxopentyl)-2-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-10(2)8-11(15)9-14(13(17)18-3)7-5-4-6-12(14)16/h10H,4-9H2,1-3H3 |
| InChIKey | ZDLJGUHWNVXWFN-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C1CCCC(C1=O)(C(=O)OC)CC(=O)CC(C)C |