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Fumaric acid, monoamide, N-(2-ethylphenyl)-, decyl ester
SpectraBase Compound ID 1IcOGw8IODQ
InChI InChI=1S/C22H33NO3/c1-3-5-6-7-8-9-10-13-18-26-22(25)17-16-21(24)23-20-15-12-11-14-19(20)4-2/h11-12,14-17H,3-10,13,18H2,1-2H3,(H,23,24)/b17-16+
InChIKey SHKLPUOXZXODMC-WUKNDPDISA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cjhq4H8s0i
Name Fumaric acid, monoamide, N-(2-ethylphenyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.246043924 u
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-3-5-6-7-8-9-10-13-18-26-22(25)17-16-21(24)23-20-15-12-11-14-19(20)4-2/h11-12,14-17H,3-10,13,18H2,1-2H3,(H,23,24)/b17-16+
InChIKey SHKLPUOXZXODMC-WUKNDPDISA-N
Molecular Weight 359.510 g/mol
SMILES CCCCCCCCCCOC(\C=C\C(NC1=CC=CC=C1CC)=O)=O