| SpectraBase Compound ID | 7uUb3U3wou7 |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-28-24(26)20-14-15-21-25(27)29-23-18-17-19-23/h23H,2-22H2,1H3 |
| InChIKey | INDNCSMAQHVOOA-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cuQKmze9Fk |
|---|---|
| Name | Adipic acid, cyclobutyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-28-24(26)20-14-15-21-25(27)29-23-18-17-19-23/h23H,2-22H2,1H3 |
| InChIKey | INDNCSMAQHVOOA-UHFFFAOYSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCOC(CCCCC(=O)OC1CCC1)=O)CCCCCCCCCCCC |