| SpectraBase Compound ID | 1qE8aTSUWJ5 |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-4-5-11-21-14(17)9-10-15(18)22-16-12(19-2)7-6-8-13(16)20-3/h6-8H,4-5,9-11H2,1-3H3 |
| InChIKey | KKLKUNDYSHTOSO-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C16H22O6 |
| Exact Mass | 310.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKi1GE9ut3I |
|---|---|
| Name | Succinic acid, 2,6-dimethoxyphenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.141638422 u |
| Formula | C16H22O6 |
| InChI | InChI=1S/C16H22O6/c1-4-5-11-21-14(17)9-10-15(18)22-16-12(19-2)7-6-8-13(16)20-3/h6-8H,4-5,9-11H2,1-3H3 |
| InChIKey | KKLKUNDYSHTOSO-UHFFFAOYSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | C(C(OC1=C(C=CC=C1OC)OC)=O)CC(OCCCC)=O |