| SpectraBase Compound ID | JeWzCDQiyZV |
|---|---|
| InChI | InChI=1S/C26H49ClO4/c1-2-3-4-5-6-7-8-9-11-14-17-23-30-25(28)20-19-21-26(29)31-24-18-15-12-10-13-16-22-27/h2-24H2,1H3 |
| InChIKey | LIGQJXQZZXMFFC-UHFFFAOYSA-N |
| Mol Weight | 461.1 g/mol |
| Molecular Formula | C26H49ClO4 |
| Exact Mass | 460.331938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ta6szUPRCc |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.331937754 u |
| Formula | C26H49ClO4 |
| InChI | InChI=1S/C26H49ClO4/c1-2-3-4-5-6-7-8-9-11-14-17-23-30-25(28)20-19-21-26(29)31-24-18-15-12-10-13-16-22-27/h2-24H2,1H3 |
| InChIKey | LIGQJXQZZXMFFC-UHFFFAOYSA-N |
| Molecular Weight | 461.127 g/mol |
| SMILES | CCCCCCCCCCCCCOC(CCCC(OCCCCCCCCCl)=O)=O |