| SpectraBase Compound ID | LMXzTo4XpI5 |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-20H2,1-2H3/b11-9+ |
| InChIKey | JSCMAQVVWYFRJM-PKNBQFBNSA-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 | kXxeKtXRk9 |
|---|---|
| Name | Succinic acid, non-4-enyl nonyl 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/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h9,11H,3-8,10,12-20H2,1-2H3/b11-9+ |
| InChIKey | JSCMAQVVWYFRJM-PKNBQFBNSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | CCCC\C=C\CCCOC(CCC(OCCCCCCCCC)=O)=O |