| SpectraBase Compound ID | HHw6bCP4VSd |
|---|---|
| InChI | InChI=1S/C26H49ClO4/c1-2-3-4-5-13-18-23-30-25(28)20-15-10-6-7-11-16-21-26(29)31-24-19-14-9-8-12-17-22-27/h2-24H2,1H3 |
| InChIKey | ININXRDXXPPVRH-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 | IYEaroDvRAm |
|---|---|
| Name | Sebacic acid, 8-chlorooctyl octyl 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/c1-2-3-4-5-13-18-23-30-25(28)20-15-10-6-7-11-16-21-26(29)31-24-19-14-9-8-12-17-22-27/h2-24H2,1H3 |
| InChIKey | ININXRDXXPPVRH-UHFFFAOYSA-N |
| Molecular Weight | 461.127 g/mol |
| SMILES | C(CCCCC(OCCCCCCCCCl)=O)CCCC(OCCCCCCCC)=O |