| SpectraBase Compound ID | 5kELA66ByjN |
|---|---|
| InChI | InChI=1S/C21H24O6/c1-5-21(6-2,19(22)26-17-11-7-9-15(13-17)24-3)20(23)27-18-12-8-10-16(14-18)25-4/h7-14H,5-6H2,1-4H3 |
| InChIKey | JYGDUBSIFOBSOT-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 | KArsDPsNO5w |
|---|---|
| Name | Diethylmalonic acid, di(3-methoxyphenyl) 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/c1-5-21(6-2,19(22)26-17-11-7-9-15(13-17)24-3)20(23)27-18-12-8-10-16(14-18)25-4/h7-14H,5-6H2,1-4H3 |
| InChIKey | JYGDUBSIFOBSOT-UHFFFAOYSA-N |
| Molecular Weight | 372.417 g/mol |
| SMILES | C(C(C(OC1=CC(OC)=CC=C1)=O)(CC)CC)(OC1=CC(OC)=CC=C1)=O |