| SpectraBase Compound ID | 1OMy8MBVPUV |
|---|---|
| InChI | InChI=1S/C22H40O6/c1-26-20(23)16-12-8-4-3-7-11-15-19-28-22(25)18-14-10-6-5-9-13-17-21(24)27-2/h3-19H2,1-2H3 |
| InChIKey | FVADNSORUDFABC-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C22H40O6 |
| Exact Mass | 400.282489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22ong35NKv7 |
|---|---|
| Name | 1,8-Octanedicarboxyl acid, (1-carbomethoxynonyl) methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.282489002 u |
| Formula | C22H40O6 |
| InChI | InChI=1S/C22H40O6/c1-26-20(23)16-12-8-4-3-7-11-15-19-28-22(25)18-14-10-6-5-9-13-17-21(24)27-2/h3-19H2,1-2H3 |
| InChIKey | FVADNSORUDFABC-UHFFFAOYSA-N |
| Molecular Weight | 400.556 g/mol |
| SMILES | C(CCCCCCC(OCCCCCCCCCC(OC)=O)=O)CC(=O)OC |