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Fumaric acid, 2-chlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-chlorophenyl dodecyl ester
SpectraBase Compound ID 7XuzZWWk25a
InChI InChI=1S/C22H31ClO4/c1-2-3-4-5-6-7-8-9-10-13-18-26-21(24)16-17-22(25)27-20-15-12-11-14-19(20)23/h11-12,14-17H,2-10,13,18H2,1H3/b17-16+
InChIKey JHKHCTUYJFFVFS-WUKNDPDISA-N
Mol Weight 394.94 g/mol
Molecular Formula C22H31ClO4
Exact Mass 394.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTTjYdrgnId
Name Fumaric acid, 2-chlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.191087174 u
Formula C22H31ClO4
InChI InChI=1S/C22H31ClO4/c1-2-3-4-5-6-7-8-9-10-13-18-26-21(24)16-17-22(25)27-20-15-12-11-14-19(20)23/h11-12,14-17H,2-10,13,18H2,1H3/b17-16+
InChIKey JHKHCTUYJFFVFS-WUKNDPDISA-N
Molecular Weight 394.939 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)Cl)=O)(OCCCCCCCCCCCC)=O