| SpectraBase Compound ID | FED3vQadupT |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-2-3-4-5-9-14-23-18(20)12-13-19(21)24-16-15-22-17-10-7-6-8-11-17/h6-8,10-11H,2-5,9,12-16H2,1H3 |
| InChIKey | KOEAGLHVTQCAIL-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19dV38i6L5J |
|---|---|
| Name | Succinic acid, heptyl 2-phenoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-2-3-4-5-9-14-23-18(20)12-13-19(21)24-16-15-22-17-10-7-6-8-11-17/h6-8,10-11H,2-5,9,12-16H2,1H3 |
| InChIKey | KOEAGLHVTQCAIL-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(CCC(OCCOC1=CC=CC=C1)=O)(OCCCCCCC)=O |