| SpectraBase Compound ID | 3OoOzxQPpBZ |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-7-10-16(14(5)6)22-18(20)12-9-11-17(19)21-15(8-2)13(3)4/h13-16H,7-12H2,1-6H3 |
| InChIKey | QYVYFZNBYOGCKA-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 | Cvzsc9XG8aQ |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 2-methylhex-3-yl 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/c1-7-10-16(14(5)6)22-18(20)12-9-11-17(19)21-15(8-2)13(3)4/h13-16H,7-12H2,1-6H3 |
| InChIKey | QYVYFZNBYOGCKA-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC(C(C)C)CCC)=O |