| SpectraBase Compound ID | 7TOAOiYjJCR |
|---|---|
| InChI | InChI=1S/C25H47ClO4/c1-2-3-4-12-17-22-29-24(27)19-14-9-5-6-10-15-20-25(28)30-23-18-13-8-7-11-16-21-26/h2-23H2,1H3 |
| InChIKey | MOTJDFRDZICTLN-UHFFFAOYSA-N |
| Mol Weight | 447.1 g/mol |
| Molecular Formula | C25H47ClO4 |
| Exact Mass | 446.316288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDxaFSI9X0X |
|---|---|
| Name | Sebacic acid, 8-chlorooctyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.316287689 u |
| Formula | C25H47ClO4 |
| InChI | InChI=1S/C25H47ClO4/c1-2-3-4-12-17-22-29-24(27)19-14-9-5-6-10-15-20-25(28)30-23-18-13-8-7-11-16-21-26/h2-23H2,1H3 |
| InChIKey | MOTJDFRDZICTLN-UHFFFAOYSA-N |
| Molecular Weight | 447.100 g/mol |
| SMILES | C(CCCCC(OCCCCCCCCCl)=O)CCCC(OCCCCCCC)=O |