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Fumaric acid, 10-chlorodecyl octyl ester
SpectraBase Compound ID 3jolOVEhmLP
InChI InChI=1S/C22H39ClO4/c1-2-3-4-5-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-6-8-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+
InChIKey LCSYCOIHYYRUDF-WUKNDPDISA-N
Mol Weight 403.0 g/mol
Molecular Formula C22H39ClO4
Exact Mass 402.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZBxhWVvQfJ
Name Fumaric acid, 10-chlorodecyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.253687432 u
Formula C22H39ClO4
InChI InChI=1S/C22H39ClO4/c1-2-3-4-5-11-14-19-26-21(24)16-17-22(25)27-20-15-12-9-7-6-8-10-13-18-23/h16-17H,2-15,18-20H2,1H3/b17-16+
InChIKey LCSYCOIHYYRUDF-WUKNDPDISA-N
Molecular Weight 403.003 g/mol
SMILES C(OCCCCCCCCCCCl)(\C=C\C(OCCCCCCCC)=O)=O