| SpectraBase Compound ID | IHlHkx8TFJ0 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-7-11-19-14(17)9-8-10-15(18)20-16(12(2)3)13(4)5/h12-13,16H,6-11H2,1-5H3 |
| InChIKey | QYQUMRHYWFTVDV-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48kbaG5Mmx |
|---|---|
| Name | Glutaric acid, butyl 2,4-dimethylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-6-7-11-19-14(17)9-8-10-15(18)20-16(12(2)3)13(4)5/h12-13,16H,6-11H2,1-5H3 |
| InChIKey | QYQUMRHYWFTVDV-UHFFFAOYSA-N |
| SMILES | CC(C(OC(CCCC(OCCCC)=O)=O)C(C)C)C |