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Sebacic acid, 2,2-dichloroethyl nonyl ester
SpectraBase Compound ID BdvJcMJLaIl
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxKRJ2LusPv
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