| SpectraBase Compound ID | CjlmmXK2F2u |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h2,4-18H2,1,3H3 |
| InChIKey | JBYGSDAHPGMHMJ-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0DUxOZX0TL |
|---|---|
| Name | Succinic acid, dodecyl 3-methylbut-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h2,4-18H2,1,3H3 |
| InChIKey | JBYGSDAHPGMHMJ-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | CC(=C)CCOC(CCC(OCCCCCCCCCCCC)=O)=O |