| SpectraBase Compound ID | BFExHKKy7ss |
|---|---|
| InChI | InChI=1S/C25H46Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-24(28)19-16-17-20-25(29)31-22-23(26)27/h23H,2-22H2,1H3 |
| InChIKey | FYKQPNLKSKQJRZ-UHFFFAOYSA-N |
| Mol Weight | 481.5 g/mol |
| Molecular Formula | C25H46Cl2O4 |
| Exact Mass | 480.277315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tT796L7UuO |
|---|---|
| Name | Adipic acid, 2,2-dichloroethyl heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 480.277315357 u |
| Formula | C25H46Cl2O4 |
| InChI | InChI=1S/C25H46Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-24(28)19-16-17-20-25(29)31-22-23(26)27/h23H,2-22H2,1H3 |
| InChIKey | FYKQPNLKSKQJRZ-UHFFFAOYSA-N |
| Molecular Weight | 481.545 g/mol |
| SMILES | C(C(OCC(Cl)Cl)=O)CCCC(OCCCCCCCCCCCCCCCCC)=O |