| SpectraBase Compound ID | KJlIrjsxmma |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-5-10-18(4-2)17-25-21(23)15-14-20(22)24-16-9-13-19-11-7-6-8-12-19/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3 |
| InChIKey | UQPUXVLOJJHXMR-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e33h3rBNq2 |
|---|---|
| Name | Succinic acid, 2-ethylhexyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-3-5-10-18(4-2)17-25-21(23)15-14-20(22)24-16-9-13-19-11-7-6-8-12-19/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3 |
| InChIKey | UQPUXVLOJJHXMR-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CC(OCC(CC)CCCC)=O)C(OCCCC1=CC=CC=C1)=O |