| SpectraBase Compound ID | HXesDrOFMgz |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-5-9-16-11(14)7-6-8-12(15)17-10-13(2,3)4/h5-10H2,1-4H3 |
| InChIKey | RNQGJRYMZIWLFN-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DU9LUNq0IR9 |
|---|---|
| Name | Glutaric acid, neopentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.167459249 u |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-5-9-16-11(14)7-6-8-12(15)17-10-13(2,3)4/h5-10H2,1-4H3 |
| InChIKey | RNQGJRYMZIWLFN-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | CCCOC(CCCC(OCC(C)(C)C)=O)=O |