| SpectraBase Compound ID | 1QrhNNbfvDs |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-16-6-3-8-18(12-16)14-24-20(22)10-5-11-21(23)25-15-19-9-4-7-17(2)13-19/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3 |
| InChIKey | JPVAVXIJQUCDOP-UHFFFAOYSA-N |
| Mol Weight | 340.42 g/mol |
| Molecular Formula | C21H24O4 |
| Exact Mass | 340.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYR3NJRKWC5 |
|---|---|
| Name | Glutaric acid, di(3-methylbenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.167459249 u |
| Formula | C21H24O4 |
| InChI | InChI=1S/C21H24O4/c1-16-6-3-8-18(12-16)14-24-20(22)10-5-11-21(23)25-15-19-9-4-7-17(2)13-19/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3 |
| InChIKey | JPVAVXIJQUCDOP-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(OCC1=CC(=CC=C1)C)(=O)CCCC(OCC1=CC(C)=CC=C1)=O |