| SpectraBase Compound ID | 2YUPBjVFsiH |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h8-13H,5-7H2,1-4H3 |
| InChIKey | HKHCNEDHOVEGSJ-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 | EpDHpUX7cx1 |
|---|---|
| Name | Glutaric acid, di(3,5-dimethylphenyl) 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/c1-14-8-15(2)11-18(10-14)24-20(22)6-5-7-21(23)25-19-12-16(3)9-17(4)13-19/h8-13H,5-7H2,1-4H3 |
| InChIKey | HKHCNEDHOVEGSJ-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CC1=CC(C)=CC(=C1)OC(CCCC(OC1=CC(=CC(=C1)C)C)=O)=O |