| SpectraBase Compound ID | 8ifw3IAVuqh |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-28-24(26)20-17-18-21-25(27)29-23(5-2)6-3/h23H,4-22H2,1-3H3 |
| InChIKey | YJMOSPIYKNSBKS-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vT4VWwdqEv |
|---|---|
| Name | Adipic acid, 3-pentyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-28-24(26)20-17-18-21-25(27)29-23(5-2)6-3/h23H,4-22H2,1-3H3 |
| InChIKey | YJMOSPIYKNSBKS-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CCCCC(=O)OC(CC)CC)(OCCCCCCCCCCCCCC)=O |