| SpectraBase Compound ID | gfbgjUNGfe |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)22-24(4)25(26)27-6-2/h23H,4-22H2,1-3H3 |
| InChIKey | BURKITNGZFXLNR-UHFFFAOYSA-N |
| Mol Weight | 380.7 g/mol |
| Molecular Formula | C25H48O2 |
| Exact Mass | 380.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hZfnW7gVP6 |
|---|---|
| Name | Heneicosanoic acid, 4-methyl-2-methylene-, ethyl ester, D- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.365430784 u |
| Formula | C25H48O2 |
| InChI | InChI=1S/C25H48O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3)22-24(4)25(26)27-6-2/h23H,4-22H2,1-3H3 |
| InChIKey | BURKITNGZFXLNR-UHFFFAOYSA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | C(C(CCCCCCCCCCCCCCCCC)C)C(C(OCC)=O)=C |