| SpectraBase Compound ID | 62ZIfJJyWhw |
|---|---|
| InChI | InChI=1S/C16H28Cl2O4/c1-13(17)11-21-15(19)9-7-5-3-4-6-8-10-16(20)22-12-14(2)18/h13-14H,3-12H2,1-2H3 |
| InChIKey | RQXYNAROVWNORZ-UHFFFAOYSA-N |
| Mol Weight | 355.3 g/mol |
| Molecular Formula | C16H28Cl2O4 |
| Exact Mass | 354.136465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OpwMAYCr4q |
|---|---|
| Name | Sebacic acid, di(2-chloropropyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.136464778 u |
| Formula | C16H28Cl2O4 |
| InChI | InChI=1S/C16H28Cl2O4/c1-13(17)11-21-15(19)9-7-5-3-4-6-8-10-16(20)22-12-14(2)18/h13-14H,3-12H2,1-2H3 |
| InChIKey | RQXYNAROVWNORZ-UHFFFAOYSA-N |
| Molecular Weight | 355.302 g/mol |
| SMILES | C(CCCC(OCC(C)Cl)=O)CCCCC(OCC(C)Cl)=O |