![rac-6,6-Dimethyl-3-[(methoxycarbonyl)methyl]-5-oxoheptanoic acid](/api/spectrum/ALnLUAONvqq/structure.png?h=300&w=458 "rac-6,6-Dimethyl-3-[(methoxycarbonyl)methyl]-5-oxoheptanoic acid")
| SpectraBase Compound ID | K6xpTC38C89 |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-12(2,3)9(13)5-8(6-10(14)15)7-11(16)17-4/h8H,5-7H2,1-4H3,(H,14,15) |
| InChIKey | NMEAKTLEDIQUME-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C12H20O5 |
| Exact Mass | 244.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALnLUAONvqq |
|---|---|
| Name | rac-6,6-Dimethyl-3-[(methoxycarbonyl)methyl]-5-oxoheptanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.131073739 u |
| Formula | C12H20O5 |
| InChI | InChI=1S/C12H20O5/c1-12(2,3)9(13)5-8(6-10(14)15)7-11(16)17-4/h8H,5-7H2,1-4H3,(H,14,15) |
| InChIKey | NMEAKTLEDIQUME-UHFFFAOYSA-N |
| Molecular Weight | 244.287 g/mol |
| SMILES | C(C(C)(C)C)(CC(CC(=O)O)CC(=O)OC)=O |