| SpectraBase Compound ID | 1F6uNTgnPVI |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-7-9-11-13-15-17-19(21(23)25-3)20(22(24)26-4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | KCQCFGRBRLQGKW-UHFFFAOYSA-N |
| Mol Weight | 370.6 g/mol |
| Molecular Formula | C22H42O4 |
| Exact Mass | 370.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBuQ6z9HF7b |
|---|---|
| Name | Butanedioic acid, 2,3-dioctyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.308309828 u |
| Formula | C22H42O4 |
| InChI | InChI=1S/C22H42O4/c1-5-7-9-11-13-15-17-19(21(23)25-3)20(22(24)26-4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | KCQCFGRBRLQGKW-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(C(C(OC)=O)CCCCCCCC)(C(OC)=O)CCCCCCCC |