| SpectraBase Compound ID | 28RqcILBmiT |
|---|---|
| InChI | InChI=1S/C22H42O4/c1-5-9-11-15-20(8-4)26-22(24)17-13-12-16-21(23)25-18-19(7-3)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | JSMPKTNFPRHWFO-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 | 3Emvu5lfu1P |
|---|---|
| Name | Dioctyladipate |
| 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/c1-5-9-11-15-20(8-4)26-22(24)17-13-12-16-21(23)25-18-19(7-3)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey | JSMPKTNFPRHWFO-UHFFFAOYSA-N |
| Molecular Weight | 370.574 g/mol |
| SMILES | C(OC(CCCCC(OCC(CCCC)CC)=O)=O)(CCCCC)CC |