| SpectraBase Compound ID | IXjhJDhB5GX |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-3-18-14(16)8-5-9-15(17)19-11-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3 |
| InChIKey | XRVIJHSEJSSARH-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 | JNFtUwKObF8 |
|---|---|
| Name | Glutaric acid, ethyl 3-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)8-5-9-15(17)19-11-13-7-4-6-12(2)10-13/h4,6-7,10H,3,5,8-9,11H2,1-2H3 |
| InChIKey | XRVIJHSEJSSARH-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C(OCC1=CC(=CC=C1)C)(=O)CCCC(OCC)=O |