| SpectraBase Compound ID | FPq26EYYh8A |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-4-16-11(14)7-5-6-8-12(15)17-10(3)9(2)13/h10H,4-8H2,1-3H3 |
| InChIKey | LBMXWWUWJMWIQF-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 | 7SRqKIppUoF |
|---|---|
| Name | Adipic acid, ethyl 3-oxobut-2-yl ester |
| 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/c1-4-16-11(14)7-5-6-8-12(15)17-10(3)9(2)13/h10H,4-8H2,1-3H3 |
| InChIKey | LBMXWWUWJMWIQF-UHFFFAOYSA-N |
| Molecular Weight | 244.287 g/mol |
| SMILES | C(CCCC(=O)OC(C(C)=O)C)C(OCC)=O |