| SpectraBase Compound ID | 143ZmZtY7RL |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-5-6-7-8-9-10-17-25-21(23)14-15-22(24)26-18-16-20(4)13-11-12-19(2)3/h12,20H,5-11,13-18H2,1-4H3 |
| InChIKey | BVPJRJVVWOPAFK-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15JiMQztDoX |
|---|---|
| Name | Succinic acid, 3,7-dimethyloct-6-en-1-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-5-6-7-8-9-10-17-25-21(23)14-15-22(24)26-18-16-20(4)13-11-12-19(2)3/h12,20H,5-11,13-18H2,1-4H3 |
| InChIKey | BVPJRJVVWOPAFK-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | CC(C)=CCCC(C)CCOC(CCC(OCCCCCCCC)=O)=O |