| SpectraBase Compound ID | 4S72PGqOiwP |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-7-9-13(4)19-15(17)10-8-11-16(18)20-14(5)12(2)3/h12-14H,6-11H2,1-5H3 |
| InChIKey | JLJMLMCHAFSOFJ-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 | KhfkGnbPgvx |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2-hexyl 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/c1-6-7-9-13(4)19-15(17)10-8-11-16(18)20-14(5)12(2)3/h12-14H,6-11H2,1-5H3 |
| InChIKey | JLJMLMCHAFSOFJ-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC(CCCC)C)=O |