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Fumaric acid, di(2-chloropropyl) ester
SpectraBase Compound ID Jzmj7q93HPe
InChI InChI=1S/C10H14Cl2O4/c1-7(11)5-15-9(13)3-4-10(14)16-6-8(2)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKey XTVLIWMGYKFLMA-ONEGZZNKSA-N
Mol Weight 269.12 g/mol
Molecular Formula C10H14Cl2O4
Exact Mass 268.026914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XcXOhRjvAb
Name Fumaric acid, di(2-chloropropyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 268.026914327 u
Formula C10H14Cl2O4
InChI InChI=1S/C10H14Cl2O4/c1-7(11)5-15-9(13)3-4-10(14)16-6-8(2)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKey XTVLIWMGYKFLMA-ONEGZZNKSA-N
Molecular Weight 269.124 g/mol
SMILES C(OCC(C)Cl)(\C=C\C(OCC(C)Cl)=O)=O