| SpectraBase Compound ID | 7GFnI87eaJx |
|---|---|
| InChI | InChI=1S/C23H44O5/c1-6-7-8-9-10-11-12-13-14-18-26-21(24)16-15-17-22(25)28-20(2)19-27-23(3,4)5/h20H,6-19H2,1-5H3 |
| InChIKey | OTQJGKXJIBFPQX-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C23H44O5 |
| Exact Mass | 400.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6G3KCwaqfl0 |
|---|---|
| Name | Glutaric acid, 1-(tert-butoxy)prop-2-yl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.318874512 u |
| Formula | C23H44O5 |
| InChI | InChI=1S/C23H44O5/c1-6-7-8-9-10-11-12-13-14-18-26-21(24)16-15-17-22(25)28-20(2)19-27-23(3,4)5/h20H,6-19H2,1-5H3 |
| InChIKey | OTQJGKXJIBFPQX-UHFFFAOYSA-N |
| Molecular Weight | 400.600 g/mol |
| SMILES | C(CCCC(OC(C)COC(C)(C)C)=O)(OCCCCCCCCCCC)=O |