| SpectraBase Compound ID | 34a0h8M3xwE |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)21-18-19-22-28(30)32-26(4)24-25(2)3/h25-26H,5-24H2,1-4H3 |
| InChIKey | HPRRSOMZSPBFEO-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H54O4 |
| Exact Mass | 454.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeqGcv0C9p2 |
|---|---|
| Name | Adipic acid, hexadecyl 4-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.402210215 u |
| Formula | C28H54O4 |
| InChI | InChI=1S/C28H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)21-18-19-22-28(30)32-26(4)24-25(2)3/h25-26H,5-24H2,1-4H3 |
| InChIKey | HPRRSOMZSPBFEO-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(C(OC(C)CC(C)C)=O)CCCC(OCCCCCCCCCCCCCCCC)=O |