| SpectraBase Compound ID | LWKwqOk9Jky |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-4-6-8-9-12-15-18-22(3)28-24(26)20-17-14-11-10-13-16-19-23(25)27-21-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | MDMGQHAMZQMNSY-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 | 39VGMuSumyA |
|---|---|
| Name | Sebacic acid, butyl 2-decyl 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/c1-4-6-8-9-12-15-18-22(3)28-24(26)20-17-14-11-10-13-16-19-23(25)27-21-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | MDMGQHAMZQMNSY-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCCCCCCCC(OCCCC)=O)(OC(C)CCCCCCCC)=O |