| SpectraBase Compound ID | 9b41YC5Ga2Q |
|---|---|
| InChI | InChI=1S/C22H40O5/c1-26-21(24)18-14-10-6-4-3-5-8-12-16-20(23)17-13-9-7-11-15-19-22(25)27-2/h3-19H2,1-2H3 |
| InChIKey | UHHZRFGNSXGPPO-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C22H40O5 |
| Exact Mass | 384.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EithRQffGvT |
|---|---|
| Name | Methyl 12-oxoeicosan-1,20-dioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.287574383 u |
| Formula | C22H40O5 |
| InChI | InChI=1S/C22H40O5/c1-26-21(24)18-14-10-6-4-3-5-8-12-16-20(23)17-13-9-7-11-15-19-22(25)27-2/h3-19H2,1-2H3 |
| InChIKey | UHHZRFGNSXGPPO-UHFFFAOYSA-N |
| Molecular Weight | 384.557 g/mol |
| SMILES | C(=O)(OC)CCCCCCCC(=O)CCCCCCCCCCC(=O)OC |