| SpectraBase Compound ID | L0VFxLQ3qsk |
|---|---|
| InChI | InChI=1S/C20H30O6/c1-4-25-18(21)14-9-7-5-6-8-10-15-19(22)26-20-16(23-2)12-11-13-17(20)24-3/h11-13H,4-10,14-15H2,1-3H3 |
| InChIKey | MFPLOSIVIOHSFB-UHFFFAOYSA-N |
| Mol Weight | 366.45 g/mol |
| Molecular Formula | C20H30O6 |
| Exact Mass | 366.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kpWL5Ttwiq |
|---|---|
| Name | Sebacic acid, 2,6-dimethoxyphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.204238680 u |
| Formula | C20H30O6 |
| InChI | InChI=1S/C20H30O6/c1-4-25-18(21)14-9-7-5-6-8-10-15-19(22)26-20-16(23-2)12-11-13-17(20)24-3/h11-13H,4-10,14-15H2,1-3H3 |
| InChIKey | MFPLOSIVIOHSFB-UHFFFAOYSA-N |
| Molecular Weight | 366.454 g/mol |
| SMILES | C(CCCCC(OC1=C(OC)C=CC=C1OC)=O)CCCC(OCC)=O |