| SpectraBase Compound ID | DcwD5yTZqrm |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-24(27)30-22(2)21-29-25(3,4)5/h22H,6-21H2,1-5H3 |
| InChIKey | HFMPQYBQTZQZLU-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C25H48O5 |
| Exact Mass | 428.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T7ws20lu81 |
|---|---|
| Name | Glutaric acid, 1-(tert-butoxy)prop-2-yl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.350174641 u |
| Formula | C25H48O5 |
| InChI | InChI=1S/C25H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-24(27)30-22(2)21-29-25(3,4)5/h22H,6-21H2,1-5H3 |
| InChIKey | HFMPQYBQTZQZLU-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(CCCC(OC(C)COC(C)(C)C)=O)(OCCCCCCCCCCCCC)=O |