| SpectraBase Compound ID | 2D3QN3g9WmN |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-3-18-14(16)10-7-11-15(17)19-12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3 |
| InChIKey | CTQWYVMHBOPPCN-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 | 2RheY07rQNr |
|---|---|
| Name | Glutaric acid, ethyl 1-phenylethyl 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)10-7-11-15(17)19-12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3 |
| InChIKey | CTQWYVMHBOPPCN-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C(OC(C)C1=CC=CC=C1)(=O)CCCC(OCC)=O |