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Fumaric acid, 2-chloroethyl octadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, 2-chloroethyl octadecyl ester
SpectraBase Compound ID Fi3QDUZndxQ
InChI InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-23(26)18-19-24(27)29-22-20-25/h18-19H,2-17,20-22H2,1H3/b19-18+
InChIKey IVJBBQKLCSDQIP-VHEBQXMUSA-N
Mol Weight 431.1 g/mol
Molecular Formula C24H43ClO4
Exact Mass 430.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MXOPv3u3xf
Name Fumaric acid, 2-chloroethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.284987561 u
Formula C24H43ClO4
InChI InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-23(26)18-19-24(27)29-22-20-25/h18-19H,2-17,20-22H2,1H3/b19-18+
InChIKey IVJBBQKLCSDQIP-VHEBQXMUSA-N
Molecular Weight 431.057 g/mol
SMILES C(CCOC(\C=C\C(OCCCl)=O)=O)CCCCCCCCCCCCCCC