| SpectraBase Compound ID | Kq276ST2Q1b |
|---|---|
| InChI | InChI=1S/C29H58O2/c1-4-28(2)26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29(30)31-3/h28H,4-27H2,1-3H3 |
| InChIKey | LNEJOJSSSAUPCI-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 | 1i2IZlsqlnw |
|---|---|
| Name | Heptacosanoic acid, 25-methyl-, methyl 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/c1-4-28(2)26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29(30)31-3/h28H,4-27H2,1-3H3 |
| InChIKey | LNEJOJSSSAUPCI-UHFFFAOYSA-N |
| Molecular Weight | 438.781 g/mol |
| SMILES | C(C(CCCCCCCCCCCCCCCCCCCCCCCC(OC)=O)C)C |