| SpectraBase Compound ID | E8psKv32s6O |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-13(2)9-8-12-21-16(19)10-7-11-17(20)22-18(14(3)4)15(5)6/h13-15,18H,7-12H2,1-6H3 |
| InChIKey | XXHQQGXDOCDUKX-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 | JhYFbrXVJ94 |
|---|---|
| Name | Glutaric acid, 2,4-dimethylpent-3-yl isohexyl 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)9-8-12-21-16(19)10-7-11-17(20)22-18(14(3)4)15(5)6/h13-15,18H,7-12H2,1-6H3 |
| InChIKey | XXHQQGXDOCDUKX-UHFFFAOYSA-N |
| SMILES | CC(C(OC(CCCC(OCCCC(C)C)=O)=O)C(C)C)C |