| SpectraBase Compound ID | Ldy3ZFBOlR2 |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-6-16-11(14)8-7-9-12(15)17-10(2)13(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey | HTAXXXCFZIOHLA-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 | 1n1StG62Gjw |
|---|---|
| Name | Glutaric acid, 3,3-dimethylbut-2-yl ethyl 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/c1-6-16-11(14)8-7-9-12(15)17-10(2)13(3,4)5/h10H,6-9H2,1-5H3 |
| InChIKey | HTAXXXCFZIOHLA-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | CC(C)(C)C(OC(CCCC(OCC)=O)=O)C |