| SpectraBase Compound ID | LPHGSzWLYdW |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)18-15-19-25(27)29-22-20-23-16-12-11-13-17-23/h11-13,16-17H,2-10,14-15,18-22H2,1H3 |
| InChIKey | VAUKQBKTAOFZJU-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AkLamkXktK |
|---|---|
| Name | Glutaric acid, dodecyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.292659764 u |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)18-15-19-25(27)29-22-20-23-16-12-11-13-17-23/h11-13,16-17H,2-10,14-15,18-22H2,1H3 |
| InChIKey | VAUKQBKTAOFZJU-UHFFFAOYSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | CCCCCCCCCCCCOC(CCCC(OCCC1=CC=CC=C1)=O)=O |