| SpectraBase Compound ID | G8g9oE83dt8 |
|---|---|
| InChI | InChI=1S/C13H20O6/c1-8(14)10(3)18-12(16)6-5-7-13(17)19-11(4)9(2)15/h10-11H,5-7H2,1-4H3 |
| InChIKey | PYEAQKUFCRZTFA-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C13H20O6 |
| Exact Mass | 272.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30ErLecPUtf |
|---|---|
| Name | Glutaric 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 | 272.125988358 u |
| Formula | C13H20O6 |
| InChI | InChI=1S/C13H20O6/c1-8(14)10(3)18-12(16)6-5-7-13(17)19-11(4)9(2)15/h10-11H,5-7H2,1-4H3 |
| InChIKey | PYEAQKUFCRZTFA-UHFFFAOYSA-N |
| Molecular Weight | 272.297 g/mol |
| SMILES | CC(OC(CCCC(OC(C(C)=O)C)=O)=O)C(C)=O |