| SpectraBase Compound ID | H3h1nwvy7iH |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-10-14(7-2)20-16(18)11-9-12-17(19)21-15(8-3)13(4)5/h13-15H,6-12H2,1-5H3 |
| InChIKey | QWXGPKGMBNDRAL-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JELMkgrx8cU |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 3-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-6-10-14(7-2)20-16(18)11-9-12-17(19)21-15(8-3)13(4)5/h13-15H,6-12H2,1-5H3 |
| InChIKey | QWXGPKGMBNDRAL-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC(CCC)CC)=O |