| SpectraBase Compound ID | 3LU9JJ6d28e |
|---|---|
| InChI | InChI=1S/C12H18O6/c1-17-11(15)7-9(13)5-3-4-6-10(14)8-12(16)18-2/h3-8H2,1-2H3 |
| InChIKey | BVFKBKVCRSXUAA-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C12H18O6 |
| Exact Mass | 258.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JnzgWNIsXl |
|---|---|
| Name | Decanedioic acid, 3,8-dioxo-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.110338294 u |
| Formula | C12H18O6 |
| InChI | InChI=1S/C12H18O6/c1-17-11(15)7-9(13)5-3-4-6-10(14)8-12(16)18-2/h3-8H2,1-2H3 |
| InChIKey | BVFKBKVCRSXUAA-UHFFFAOYSA-N |
| Molecular Weight | 258.270 g/mol |
| SMILES | C(C(CCCCC(CC(OC)=O)=O)=O)C(OC)=O |