| SpectraBase Compound ID | 9hzUKdchwzm |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-13-18-24-20(22)16-17-21(23)25-19-14-11-12-15-19/h10,13,19H,2-9,11-12,14-18H2,1H3/b13-10+ |
| InChIKey | CPJMJTNJHCAPJD-JLHYYAGUSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2wVUVyteGP |
|---|---|
| Name | Succinic acid, dodec-2-en-1-yl cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-13-18-24-20(22)16-17-21(23)25-19-14-11-12-15-19/h10,13,19H,2-9,11-12,14-18H2,1H3/b13-10+ |
| InChIKey | CPJMJTNJHCAPJD-JLHYYAGUSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CC(OC\C=C\CCCCCCCCC)=O)C(OC1CCCC1)=O |