| SpectraBase Compound ID | JRvqMmd9CpS |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-11(2)10-19-14(17)8-7-9-15(18)20-16(12(3)4)13(5)6/h11-13,16H,7-10H2,1-6H3 |
| InChIKey | UXHICLNPNLKXQI-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 | 4wXw1ap0Vri |
|---|---|
| Name | Glutaric acid, 2,4-dimethylpent-3-yl isobutyl 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/c1-11(2)10-19-14(17)8-7-9-15(18)20-16(12(3)4)13(5)6/h11-13,16H,7-10H2,1-6H3 |
| InChIKey | UXHICLNPNLKXQI-UHFFFAOYSA-N |
| SMILES | CC(C(OC(CCCC(OCC(C)C)=O)=O)C(C)C)C |