| SpectraBase Compound ID | AKWCEjM8eho |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-13(2)15(4)22-17(20)10-8-9-16(19)21-12-14(3)11-18(5,6)7/h13-15H,8-12H2,1-7H3 |
| InChIKey | VAYQLFINHUZIBV-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KE9jjoEmgJV |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-13(2)15(4)22-17(20)10-8-9-16(19)21-12-14(3)11-18(5,6)7/h13-15H,8-12H2,1-7H3 |
| InChIKey | VAYQLFINHUZIBV-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OCC(CC(C)(C)C)C)=O |