| SpectraBase Compound ID | 3FGwT5Q0Zer |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-7-14(12(4)5)20-16(18)10-8-9-15(17)19-13(6)11(2)3/h11-14H,7-10H2,1-6H3 |
| InChIKey | DDSJLMZLUBZRMM-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 | 7ERhzTcwMbS |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2-methylpent-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/c1-7-14(12(4)5)20-16(18)10-8-9-15(17)19-13(6)11(2)3/h11-14H,7-10H2,1-6H3 |
| InChIKey | DDSJLMZLUBZRMM-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC(C(C)C)CC)=O |