| SpectraBase Compound ID | 7LJpLnHymw6 |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-7-8-9-10-11-12-13-14-15-18-24-20(22)16-17-21(23)25-19(5-2)6-3/h14-15,19H,4-13,16-18H2,1-3H3/b15-14+ |
| InChIKey | ARYORAIXOXDOFC-CCEZHUSRSA-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 | BNxaUbRR3sr |
|---|---|
| Name | Succinic acid, dodec-2-enyl 3-pentyl 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/c1-4-7-8-9-10-11-12-13-14-15-18-24-20(22)16-17-21(23)25-19(5-2)6-3/h14-15,19H,4-13,16-18H2,1-3H3/b15-14+ |
| InChIKey | ARYORAIXOXDOFC-CCEZHUSRSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCCCCCC\C=C\COC(=O)CCC(OC(CC)CC)=O)C |