| SpectraBase Compound ID | KckYfxwsI99 |
|---|---|
| InChI | InChI=1S/C25H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(27-2)25(26)28-3/h24H,4-23H2,1-3H3 |
| InChIKey | WRVKDIICJMKYSX-UHFFFAOYSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C25H50O3 |
| Exact Mass | 398.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeuHdlAgtaO |
|---|---|
| Name | Tricosanoic acid, 2-methoxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.375995467 u |
| Formula | C25H50O3 |
| InChI | InChI=1S/C25H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(27-2)25(26)28-3/h24H,4-23H2,1-3H3 |
| InChIKey | WRVKDIICJMKYSX-UHFFFAOYSA-N |
| Molecular Weight | 398.672 g/mol |
| SMILES | C(C(C(OC)=O)OC)CCCCCCCCCCCCCCCCCCCC |