| SpectraBase Compound ID | 3QuCrS9HNwY |
|---|---|
| InChI | InChI=1S/C25H38O5/c1-3-4-5-6-7-8-9-10-11-12-20-29-24(27)14-13-15-25(28)30-23-18-16-22(17-19-23)21(2)26/h16-19H,3-15,20H2,1-2H3 |
| InChIKey | VAMMAGKNNJNJRI-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C25H38O5 |
| Exact Mass | 418.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fUFAZrmhZB |
|---|---|
| Name | Glutaric acid, 4-acetylphenyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.271924319 u |
| Formula | C25H38O5 |
| InChI | InChI=1S/C25H38O5/c1-3-4-5-6-7-8-9-10-11-12-20-29-24(27)14-13-15-25(28)30-23-18-16-22(17-19-23)21(2)26/h16-19H,3-15,20H2,1-2H3 |
| InChIKey | VAMMAGKNNJNJRI-UHFFFAOYSA-N |
| Molecular Weight | 418.574 g/mol |
| SMILES | CCCCCCCCCCCCOC(CCCC(OC1=CC=C(C=C1)C(=O)C)=O)=O |