| SpectraBase Compound ID | DqGnakNFelQ |
|---|---|
| InChI | InChI=1S/C21H40O5/c1-6-7-8-9-10-11-12-16-24-19(22)14-13-15-20(23)26-18(2)17-25-21(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey | JVOIOBZTSWSUED-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C21H40O5 |
| Exact Mass | 372.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArbWVOEiOu3 |
|---|---|
| Name | Glutaric acid, 1-(tert-butoxy)prop-2-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.287574383 u |
| Formula | C21H40O5 |
| InChI | InChI=1S/C21H40O5/c1-6-7-8-9-10-11-12-16-24-19(22)14-13-15-20(23)26-18(2)17-25-21(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey | JVOIOBZTSWSUED-UHFFFAOYSA-N |
| Molecular Weight | 372.546 g/mol |
| SMILES | C(CCCC(OC(C)COC(C)(C)C)=O)(OCCCCCCCCC)=O |