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Fumaric monoamide, N-(2-bromophenyl)-, undecyl ester

View entire compound with spectra: 1 NMR

Fumaric monoamide, N-(2-bromophenyl)-, undecyl ester
SpectraBase Compound ID F954ry4g22h
InChI InChI=1S/C21H30BrNO3/c1-2-3-4-5-6-7-8-9-12-17-26-21(25)16-15-20(24)23-19-14-11-10-13-18(19)22/h10-11,13-16H,2-9,12,17H2,1H3,(H,23,24)/b16-15+
InChIKey BPBWFVPJPSETON-FOCLMDBBSA-N
Mol Weight 424.38 g/mol
Molecular Formula C21H30BrNO3
Exact Mass 423.140907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqmNQcqaheV
Name Fumaric monoamide, N-(2-bromophenyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.140906827 u
Formula C21H30BrNO3
InChI InChI=1S/C21H30BrNO3/c1-2-3-4-5-6-7-8-9-12-17-26-21(25)16-15-20(24)23-19-14-11-10-13-18(19)22/h10-11,13-16H,2-9,12,17H2,1H3,(H,23,24)/b16-15+
InChIKey BPBWFVPJPSETON-FOCLMDBBSA-N
Molecular Weight 424.379 g/mol
SMILES C1=C(C(=CC=C1)Br)NC(\C=C\C(OCCCCCCCCCCC)=O)=O