| SpectraBase Compound ID | EITDAIseWTV |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-2-3-4-5-6-7-11-17-24-20(22)15-12-16-21(23)25-18-19-13-9-8-10-14-19/h19H,2-18H2,1H3 |
| InChIKey | JKZKJTIPURQYHX-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoiPjevGtqs |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-2-3-4-5-6-7-11-17-24-20(22)15-12-16-21(23)25-18-19-13-9-8-10-14-19/h19H,2-18H2,1H3 |
| InChIKey | JKZKJTIPURQYHX-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCCCCCCCC)=O |