| SpectraBase Compound ID | 2FMoAs99Phh |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-6-21(7-2)17-18-22(8-3)28-24(26)16-14-12-10-9-11-13-15-23(25)27-19-20(4)5/h20-22H,6-19H2,1-5H3 |
| InChIKey | CAAVLDDSPKWRNQ-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JQMHEt1kAj |
|---|---|
| Name | Sebacic acid, 6-ethyloct-3-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-6-21(7-2)17-18-22(8-3)28-24(26)16-14-12-10-9-11-13-15-23(25)27-19-20(4)5/h20-22H,6-19H2,1-5H3 |
| InChIKey | CAAVLDDSPKWRNQ-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCC(C)C)=O |