| SpectraBase Compound ID | 82TDXY6tFnB |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-7-11-17(6-3)16-24-20(22)14-15-21(23)25-19-13-9-8-12-18(19)10-5-2/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3 |
| InChIKey | XHHUANNMQSGTND-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 | eDvmtdhlvf |
|---|---|
| Name | Succinic acid, 2-ethylhexyl 2-propylphenyl 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/c1-4-7-11-17(6-3)16-24-20(22)14-15-21(23)25-19-13-9-8-12-18(19)10-5-2/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3 |
| InChIKey | XHHUANNMQSGTND-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CC(OCC(CC)CCCC)=O)C(OC=1C(CCC)=CC=CC1)=O |