| SpectraBase Compound ID | IeiCG81RNwL |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-3-18-14(16)5-4-6-15(17)19-11-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | UNNCBHROFJPVJY-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtswQg2vl0G |
|---|---|
| Name | Glutaric acid, ethyl 4-methylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-3-18-14(16)5-4-6-15(17)19-11-13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3 |
| InChIKey | UNNCBHROFJPVJY-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C(OCC=1C=CC(=CC1)C)(=O)CCCC(OCC)=O |