| SpectraBase Compound ID | J65Qk7OJcgG |
|---|---|
| InChI | InChI=1S/C21H24O4/c1-14-8-5-10-18(16(14)3)24-20(22)12-7-13-21(23)25-19-11-6-9-15(2)17(19)4/h5-6,8-11H,7,12-13H2,1-4H3 |
| InChIKey | GDXGEHBHDPJIDH-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 | BfmGKmHjjZ0 |
|---|---|
| Name | Glutaric acid, di(2,3-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/c1-14-8-5-10-18(16(14)3)24-20(22)12-7-13-21(23)25-19-11-6-9-15(2)17(19)4/h5-6,8-11H,7,12-13H2,1-4H3 |
| InChIKey | GDXGEHBHDPJIDH-UHFFFAOYSA-N |
| Molecular Weight | 340.419 g/mol |
| SMILES | CC1=CC=CC(=C1C)OC(CCCC(OC1=CC=CC(=C1C)C)=O)=O |