| SpectraBase Compound ID | 27gBHTN8mB |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-5-11(10(3)4)17-13(15)9-7-8-12(14)16-6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey | WWUZMNKAWSGVNT-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 | E9m0cd3Jpst |
|---|---|
| Name | Glutaric acid, ethyl 2-methylpent-3-yl 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/c1-5-11(10(3)4)17-13(15)9-7-8-12(14)16-6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey | WWUZMNKAWSGVNT-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | CCC(OC(CCCC(OCC)=O)=O)C(C)C |