| SpectraBase Compound ID | KKCqQPXAYVi |
|---|---|
| InChI | InChI=1S/C21H24O6/c1-24-18-10-5-3-8-16(18)14-26-20(22)12-7-13-21(23)27-15-17-9-4-6-11-19(17)25-2/h3-6,8-11H,7,12-15H2,1-2H3 |
| InChIKey | CAWYSROFZZLTBW-UHFFFAOYSA-N |
| Mol Weight | 372.42 g/mol |
| Molecular Formula | C21H24O6 |
| Exact Mass | 372.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9XkxThRv5d |
|---|---|
| Name | Glutaric acid, di(2-methoxybenzyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.157288487 u |
| Formula | C21H24O6 |
| InChI | InChI=1S/C21H24O6/c1-24-18-10-5-3-8-16(18)14-26-20(22)12-7-13-21(23)27-15-17-9-4-6-11-19(17)25-2/h3-6,8-11H,7,12-15H2,1-2H3 |
| InChIKey | CAWYSROFZZLTBW-UHFFFAOYSA-N |
| Molecular Weight | 372.417 g/mol |
| SMILES | C(OCC=1C(OC)=CC=CC1)(=O)CCCC(OCC1=C(OC)C=CC=C1)=O |