SpectraBase Compound ID | BdvJcMJLaIl |
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InChI | InChI=1S/C21H38Cl2O4/c1-2-3-4-5-8-11-14-17-26-20(24)15-12-9-6-7-10-13-16-21(25)27-18-19(22)23/h19H,2-18H2,1H3 |
InChIKey | JMNNLXUXMDXZPN-UHFFFAOYSA-N |
Mol Weight | 425.4 g/mol |
Molecular Formula | C21H38Cl2O4 |
Exact Mass | 424.214715 g/mol |
SpectraBase Spectrum ID | FxKRJ2LusPv |
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Name | Sebacic acid, 2,2-dichloroethyl nonyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 424.214715100 u |
Formula | C21H38Cl2O4 |
InChI | InChI=1S/C21H38Cl2O4/c1-2-3-4-5-8-11-14-17-26-20(24)15-12-9-6-7-10-13-16-21(25)27-18-19(22)23/h19H,2-18H2,1H3 |
InChIKey | JMNNLXUXMDXZPN-UHFFFAOYSA-N |
Molecular Weight | 425.437 g/mol |
SMILES | C(CCCCCCCCC(OCCCCCCCCC)=O)(OCC(Cl)Cl)=O |