| SpectraBase Compound ID | 33QEUCUeWC3 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-15-5-3-7-17(11-15)13-23-19(21)9-10-20(22)24-14-18-8-4-6-16(2)12-18/h3-8,11-12H,9-10,13-14H2,1-2H3 |
| InChIKey | MQQMUGRCVFGEMI-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bdz4YnhVD6k |
|---|---|
| Name | Succinic acid, di(3-methylbenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-15-5-3-7-17(11-15)13-23-19(21)9-10-20(22)24-14-18-8-4-6-16(2)12-18/h3-8,11-12H,9-10,13-14H2,1-2H3 |
| InChIKey | MQQMUGRCVFGEMI-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(OC(=O)CCC(OCC=1C=CC=C(C)C1)=O)C=1C=CC=C(C)C1 |