| SpectraBase Compound ID | AwL4oyt5XrP |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-16-6-10-18(11-7-16)14-24-20(22)4-3-5-21(23)25-15-19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3 |
| InChIKey | WAOHWWNPYNDPBQ-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 | 3AsPTwfdXWh |
|---|---|
| Name | Glutaric acid, di(4-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/c1-16-6-10-18(11-7-16)14-24-20(22)4-3-5-21(23)25-15-19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3 |
| InChIKey | WAOHWWNPYNDPBQ-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCC1=CC=C(C)C=C1)=O |