| SpectraBase Compound ID | KT7adyJQqJn |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-16(18-10-5-3-6-11-18)24-20(22)14-9-15-21(23)25-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3 |
| InChIKey | BINGVWUXLVUIJH-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 | A3Aj0u1RraG |
|---|---|
| Name | Glutaric acid, di(1-phenylethyl) 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(18-10-5-3-6-11-18)24-20(22)14-9-15-21(23)25-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3 |
| InChIKey | BINGVWUXLVUIJH-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | C(OC(C)C1=CC=CC=C1)(=O)CCCC(OC(C)C1=CC=CC=C1)=O |