| SpectraBase Compound ID | EKZ208N8GH0 |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-3-4-5-6-7-9-13-19(2)26-22(24)17-12-16-21(23)25-18-20-14-10-8-11-15-20/h19-20H,3-18H2,1-2H3 |
| InChIKey | RMSSRGFEYAYWMW-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FRChRtzGREx |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 2-decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-3-4-5-6-7-9-13-19(2)26-22(24)17-12-16-21(23)25-18-20-14-10-8-11-15-20/h19-20H,3-18H2,1-2H3 |
| InChIKey | RMSSRGFEYAYWMW-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC(CCCCCCCC)C)=O |