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Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-pentyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-pentyl ester
SpectraBase Compound ID KEobClNEHkX
InChI InChI=1S/C15H18BrNO3/c1-3-6-11(2)20-15(19)10-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-11H,3,6H2,1-2H3,(H,17,18)/b10-9+
InChIKey YZPLUFJJPUGYDS-MDZDMXLPSA-N
Mol Weight 340.22 g/mol
Molecular Formula C15H18BrNO3
Exact Mass 339.047006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUQTHXOSRdv
Name Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.047006441 u
Formula C15H18BrNO3
InChI InChI=1S/C15H18BrNO3/c1-3-6-11(2)20-15(19)10-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-11H,3,6H2,1-2H3,(H,17,18)/b10-9+
InChIKey YZPLUFJJPUGYDS-MDZDMXLPSA-N
Molecular Weight 340.217 g/mol
SMILES C1=CC=C(C(=C1)Br)NC(\C=C\C(=O)OC(C)CCC)=O