| SpectraBase Compound ID | 9nAdX8UrpqH |
|---|---|
| InChI | InChI=1S/C20H28O4/c21-19(23-15-7-12-17-8-3-1-4-9-17)13-14-20(22)24-16-18-10-5-2-6-11-18/h1,3-4,8-9,18H,2,5-7,10-16H2 |
| InChIKey | HDWCSQGQABBUTI-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GssKQ2dXKkn |
|---|---|
| Name | Succinic acid, cyclohexylmethyl 3-phenylpropyl 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/c21-19(23-15-7-12-17-8-3-1-4-9-17)13-14-20(22)24-16-18-10-5-2-6-11-18/h1,3-4,8-9,18H,2,5-7,10-16H2 |
| InChIKey | HDWCSQGQABBUTI-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OCCCC1=CC=CC=C1)=O |