| SpectraBase Compound ID | JDKJtKWW0yK |
|---|---|
| InChI | InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(28)29-25-26(2)3/h26H,4-25H2,1-3H3 |
| InChIKey | VWHVHTQGUKGVDH-UHFFFAOYSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C27H54O2 |
| Exact Mass | 410.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IljzTWT8xIf |
|---|---|
| Name | Tricosanoic acid, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.412380977 u |
| Formula | C27H54O2 |
| InChI | InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(28)29-25-26(2)3/h26H,4-25H2,1-3H3 |
| InChIKey | VWHVHTQGUKGVDH-UHFFFAOYSA-N |
| Molecular Weight | 410.727 g/mol |
| SMILES | C(CCC(OCC(C)C)=O)CCCCCCCCCCCCCCCCCCC |