| SpectraBase Compound ID | 1Q6Yaaqk4Fq |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-6-7-10-13-21-17(19)11-8-9-12-18(20)22-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | XBWPAQNRDBZFMI-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 | IrOb26iLCwf |
|---|---|
| Name | Adipic acid, hexyl 4-methylpent-2-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/c1-5-6-7-10-13-21-17(19)11-8-9-12-18(20)22-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | XBWPAQNRDBZFMI-UHFFFAOYSA-N |
| SMILES | C(C(OC(C)CC(C)C)=O)CCCC(OCCCCCC)=O |