| SpectraBase Compound ID | Cmrl4cynEJ7 |
|---|---|
| InChI | InChI=1S/C36H64O3/c1-34(39-33-35-30-26-24-27-31-35)29-25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28-32-36(37)38-2/h24,26-27,30-31,34H,3-23,25,28-29,32-33H2,1-2H3 |
| InChIKey | BBTGLPSHDMXHCQ-UHFFFAOYSA-N |
| Mol Weight | 544.9 g/mol |
| Molecular Formula | C36H64O3 |
| Exact Mass | 544.485546 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fv2bsdo7jmY |
|---|---|
| Name | 27-BENZYLOXY-OCTACOSANOIC-ACID-METHYLESTER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H64O3 |
| InChI | InChI=1S/C36H64O3/c1-34(39-33-35-30-26-24-27-31-35)29-25-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-28-32-36(37)38-2/h24,26-27,30-31,34H,3-23,25,28-29,32-33H2,1-2H3 |
| InChIKey | BBTGLPSHDMXHCQ-UHFFFAOYSA-N |
| Literature Reference Author | B.SANTHANAM,G.J.BOONS |
| Literature Reference Citation | ORG.LETTERS,6,3333(2004) |
| Literature Reference DOI | 10.1021/ol048746f |
| Molecular Weight | 544.902 g/mol |
| Sample ID | 50949 |
| Solvent | CDCl3 |