| SpectraBase Compound ID | BnsoKOMjSyk |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-4-5-6-7-12-15-20-29-24(26)16-13-10-8-9-11-14-17-25(27)30-22-19-23(2)18-21-28-3/h23H,4-22H2,1-3H3 |
| InChIKey | WBEFLJUIOHSEJN-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C25H48O5 |
| Exact Mass | 428.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFWiBlI4Wu |
|---|---|
| Name | Sebacic acid, 5-methoxy-3-methylpentyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.350174641 u |
| Formula | C25H48O5 |
| InChI | InChI=1S/C25H48O5/c1-4-5-6-7-12-15-20-29-24(26)16-13-10-8-9-11-14-17-25(27)30-22-19-23(2)18-21-28-3/h23H,4-22H2,1-3H3 |
| InChIKey | WBEFLJUIOHSEJN-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCC)=O)(OCCC(C)CCOC)=O |