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Fumaric acid, monoamide, N-(3-chlorolphenyl)-, decyl ester
SpectraBase Compound ID AG1SmS91KPM
InChI InChI=1S/C20H28ClNO3/c1-2-3-4-5-6-7-8-9-15-25-20(24)14-13-19(23)22-18-12-10-11-17(21)16-18/h10-14,16H,2-9,15H2,1H3,(H,22,23)/b14-13+
InChIKey XQWVEPNBTOYOPM-BUHFOSPRSA-N
Mol Weight 365.9 g/mol
Molecular Formula C20H28ClNO3
Exact Mass 365.175771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHEihhBrJEs
Name Fumaric acid, monoamide, N-(3-chlorolphenyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.175771463 u
Formula C20H28ClNO3
InChI InChI=1S/C20H28ClNO3/c1-2-3-4-5-6-7-8-9-15-25-20(24)14-13-19(23)22-18-12-10-11-17(21)16-18/h10-14,16H,2-9,15H2,1H3,(H,22,23)/b14-13+
InChIKey XQWVEPNBTOYOPM-BUHFOSPRSA-N
Molecular Weight 365.901 g/mol
SMILES C(NC1=CC(=CC=C1)Cl)(\C=C\C(OCCCCCCCCCC)=O)=O