| SpectraBase Compound ID | EIeE5Xebfyl |
|---|---|
| InChI | InChI=1S/C13H22O5/c1-4-5-9-17-12(15)7-6-8-13(16)18-11(3)10(2)14/h11H,4-9H2,1-3H3 |
| InChIKey | BUSJEQYJLDIKCC-UHFFFAOYSA-N |
| Mol Weight | 258.31 g/mol |
| Molecular Formula | C13H22O5 |
| Exact Mass | 258.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bIqDqepe4Z |
|---|---|
| Name | Glutaric acid, butyl 3-oxobut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.146723803 u |
| Formula | C13H22O5 |
| InChI | InChI=1S/C13H22O5/c1-4-5-9-17-12(15)7-6-8-13(16)18-11(3)10(2)14/h11H,4-9H2,1-3H3 |
| InChIKey | BUSJEQYJLDIKCC-UHFFFAOYSA-N |
| Molecular Weight | 258.314 g/mol |
| SMILES | CCCCOC(CCCC(OC(C(C)=O)C)=O)=O |