| SpectraBase Compound ID | 2Cw8sTCi2Gn |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-7-10-13-21-16(19)11-8-9-12-17(20)22-18(14(2)3)15(4)5/h14-15,18H,6-13H2,1-5H3 |
| InChIKey | MAFBFTLNTFTGDB-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 | 6QvmosHUDGK |
|---|---|
| Name | Adipic acid, 2,4-dimethylpent-3-yl pentyl 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/c1-6-7-10-13-21-16(19)11-8-9-12-17(20)22-18(14(2)3)15(4)5/h14-15,18H,6-13H2,1-5H3 |
| InChIKey | MAFBFTLNTFTGDB-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)C)C(C)C)(CCCCC(OCCCCC)=O)=O |