| SpectraBase Compound ID | DmpSAlgNIMV |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-2-3-4-8-16-23-19(21)14-9-15-20(22)24-17-10-13-18-11-6-5-7-12-18/h5-7,10-13H,2-4,8-9,14-17H2,1H3/b13-10+ |
| InChIKey | BZQLSNPIGQYAQL-JLHYYAGUSA-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 | 7LEVNBRDCBN |
|---|---|
| Name | Glutaric acid, hexyl 3-phenylprop-2-enyl 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/c1-2-3-4-8-16-23-19(21)14-9-15-20(22)24-17-10-13-18-11-6-5-7-12-18/h5-7,10-13H,2-4,8-9,14-17H2,1H3/b13-10+ |
| InChIKey | BZQLSNPIGQYAQL-JLHYYAGUSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | CCCCCCOC(CCCC(OC\C=C\C1=CC=CC=C1)=O)=O |