| SpectraBase Compound ID | CETAAaIxmO9 |
|---|---|
| InChI | InChI=1S/C29H58O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-29(30)27-28(2)3/h28H,4-27H2,1-3H3 |
| InChIKey | IDPXGDLRSHZFIZ-UHFFFAOYSA-N |
| Mol Weight | 438.8 g/mol |
| Molecular Formula | C29H58O2 |
| Exact Mass | 438.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QBqLU1xMNW |
|---|---|
| Name | Isovaleric acid, tetracosyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.443681106 u |
| Formula | C29H58O2 |
| InChI | InChI=1S/C29H58O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-29(30)27-28(2)3/h28H,4-27H2,1-3H3 |
| InChIKey | IDPXGDLRSHZFIZ-UHFFFAOYSA-N |
| Molecular Weight | 438.781 g/mol |
| SMILES | C(CC(C)C)(=O)OCCCCCCCCCCCCCCCCCCCCCCCC |