| SpectraBase Compound ID | GXdAW699NeV |
|---|---|
| InChI | InChI=1S/C24H46O5/c1-5-6-11-14-22(17-18-27-4)20-29-24(26)16-13-10-8-7-9-12-15-23(25)28-19-21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey | KEMIPQUGRUZJIU-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C24H46O5 |
| Exact Mass | 414.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KA8994xqYEp |
|---|---|
| Name | Sebacic acid, isobutyl 2-(2-methoxyethyl)heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.334524576 u |
| Formula | C24H46O5 |
| InChI | InChI=1S/C24H46O5/c1-5-6-11-14-22(17-18-27-4)20-29-24(26)16-13-10-8-7-9-12-15-23(25)28-19-21(2)3/h21-22H,5-20H2,1-4H3 |
| InChIKey | KEMIPQUGRUZJIU-UHFFFAOYSA-N |
| Molecular Weight | 414.627 g/mol |
| SMILES | C(CCCCCC(OCC(CCOC)CCCCC)=O)CCC(OCC(C)C)=O |