| SpectraBase Compound ID | BTNl4Nbt2pc |
|---|---|
| InChI | InChI=1S/C28H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(29)30-26-27(2)3/h27H,4-26H2,1-3H3 |
| InChIKey | ZDCQXZRGGPUDNZ-UHFFFAOYSA-N |
| Mol Weight | 424.8 g/mol |
| Molecular Formula | C28H56O2 |
| Exact Mass | 424.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7REUTbngl72 |
|---|---|
| Name | Tetracosanoic acid, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.428031041 u |
| Formula | C28H56O2 |
| InChI | InChI=1S/C28H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(29)30-26-27(2)3/h27H,4-26H2,1-3H3 |
| InChIKey | ZDCQXZRGGPUDNZ-UHFFFAOYSA-N |
| Molecular Weight | 424.754 g/mol |
| SMILES | C(CCC(OCC(C)C)=O)CCCCCCCCCCCCCCCCCCCC |