| SpectraBase Compound ID | xydoNk1Ua7 |
|---|---|
| InChI | InChI=1S/C30H56Cl2O4/c31-25-19-13-7-1-3-9-15-21-27-35-29(33)23-17-11-5-6-12-18-24-30(34)36-28-22-16-10-4-2-8-14-20-26-32/h1-28H2 |
| InChIKey | XFRTUKLMEALOGU-UHFFFAOYSA-N |
| Mol Weight | 551.7 g/mol |
| Molecular Formula | C30H56Cl2O4 |
| Exact Mass | 550.355566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xXFoA0YPHu |
|---|---|
| Name | Sebacic acid, di(10-chlorodecyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 550.355565679 u |
| Formula | C30H56Cl2O4 |
| InChI | InChI=1S/C30H56Cl2O4/c31-25-19-13-7-1-3-9-15-21-27-35-29(33)23-17-11-5-6-12-18-24-30(34)36-28-22-16-10-4-2-8-14-20-26-32/h1-28H2 |
| InChIKey | XFRTUKLMEALOGU-UHFFFAOYSA-N |
| Molecular Weight | 551.680 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)CCCCCC(OCCCCCCCCCCCl)=O |