| SpectraBase Compound ID | 12zS8TrEJOn |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-7-9-13-20-16(18)11-12-17(19)21-14-15(6-3)10-8-5-2/h4,15H,1,5-14H2,2-3H3 |
| InChIKey | ISCSVKBONUQFEC-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IijHg9gjqxV |
|---|---|
| Name | Succinic acid, 2-ethylhexyl pent-4-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-4-7-9-13-20-16(18)11-12-17(19)21-14-15(6-3)10-8-5-2/h4,15H,1,5-14H2,2-3H3 |
| InChIKey | ISCSVKBONUQFEC-UHFFFAOYSA-N |
| SMILES | C(CC(OCC(CC)CCCC)=O)C(OCCCC=C)=O |