| SpectraBase Compound ID | AKKitns2WlW |
|---|---|
| InChI | InChI=1S/C12H18O6/c1-7(13)9(3)17-11(15)5-6-12(16)18-10(4)8(2)14/h9-10H,5-6H2,1-4H3 |
| InChIKey | MJFIYODJICINQS-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 | 2CGEtk1uxvX |
|---|---|
| Name | Succinic acid, di(3-oxobut-2-yl) 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/c1-7(13)9(3)17-11(15)5-6-12(16)18-10(4)8(2)14/h9-10H,5-6H2,1-4H3 |
| InChIKey | MJFIYODJICINQS-UHFFFAOYSA-N |
| Molecular Weight | 258.270 g/mol |
| SMILES | C(CC(OC(C(C)=O)C)=O)C(OC(C)C(C)=O)=O |