| SpectraBase Compound ID | EhKOgtrKt1G |
|---|---|
| InChI | InChI=1S/C23H36O6/c1-4-5-12-18-28-21(24)16-10-8-6-7-9-11-17-22(25)29-23-19(26-2)14-13-15-20(23)27-3/h13-15H,4-12,16-18H2,1-3H3 |
| InChIKey | MRTXDSAAZJSVHQ-UHFFFAOYSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C23H36O6 |
| Exact Mass | 408.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvpmcLRhicB |
|---|---|
| Name | Sebacic acid, 2,6-dimethoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.251188873 u |
| Formula | C23H36O6 |
| InChI | InChI=1S/C23H36O6/c1-4-5-12-18-28-21(24)16-10-8-6-7-9-11-17-22(25)29-23-19(26-2)14-13-15-20(23)27-3/h13-15H,4-12,16-18H2,1-3H3 |
| InChIKey | MRTXDSAAZJSVHQ-UHFFFAOYSA-N |
| Molecular Weight | 408.535 g/mol |
| SMILES | C(CCCCC(OC1=C(OC)C=CC=C1OC)=O)CCCC(OCCCCC)=O |