| SpectraBase Compound ID | EEWkN1C8WCK |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-14(2)10-9-13-21-16(19)11-7-8-12-17(20)22-15(3)18(4,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | RFVLBVSYMCBNMY-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 | 20dMZWgMitE |
|---|---|
| Name | Adipic acid, 3,3-dimethylbut-2-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/c1-14(2)10-9-13-21-16(19)11-7-8-12-17(20)22-15(3)18(4,5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | RFVLBVSYMCBNMY-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)(C)C)C)(CCCCC(OCCCC(C)C)=O)=O |