| SpectraBase Compound ID | xiaB5VjSAW |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-2-3-13-19-15(17)11-7-8-12-16(18)20-14-9-5-4-6-10-14/h14H,2-13H2,1H3 |
| InChIKey | VMLSGAGYQLRCMG-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bmrtas7dnl7 |
|---|---|
| Name | Adipic acid, butyl cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-2-3-13-19-15(17)11-7-8-12-16(18)20-14-9-5-4-6-10-14/h14H,2-13H2,1H3 |
| InChIKey | VMLSGAGYQLRCMG-UHFFFAOYSA-N |
| SMILES | C(CC(=O)OC1CCCCC1)CCC(OCCCC)=O |