| SpectraBase Compound ID | 5HfKZTxjLxX |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-2-8-17-11-6-7-12-18(17)24-20(22)14-13-19(21)23-15-16-9-4-3-5-10-16/h6-7,11-12,16H,2-5,8-10,13-15H2,1H3 |
| InChIKey | HMZVUEQCCGNWGV-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EF4sxRD2Wka |
|---|---|
| Name | Succinic acid, cyclohexylmethyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-2-8-17-11-6-7-12-18(17)24-20(22)14-13-19(21)23-15-16-9-4-3-5-10-16/h6-7,11-12,16H,2-5,8-10,13-15H2,1H3 |
| InChIKey | HMZVUEQCCGNWGV-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OC=1C(CCC)=CC=CC1)=O |