| SpectraBase Compound ID | wjPzDoImBB |
|---|---|
| InChI | InChI=1S/C21H30O4/c22-20(24-16-8-13-18-9-3-1-4-10-18)14-7-15-21(23)25-17-19-11-5-2-6-12-19/h1,3-4,9-10,19H,2,5-8,11-17H2 |
| InChIKey | WWVWSHROGHQNJZ-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIT2r69FWyB |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c22-20(24-16-8-13-18-9-3-1-4-10-18)14-7-15-21(23)25-17-19-11-5-2-6-12-19/h1,3-4,9-10,19H,2,5-8,11-17H2 |
| InChIKey | WWVWSHROGHQNJZ-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCCC1=CC=CC=C1)=O |