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N-[(4-Bromophenyl)-3(E)-butenyl]acetamide
SpectraBase Compound ID G7NO7uYJWeA
InChI InChI=1S/C12H14BrNO/c1-10(15)14-9-3-2-4-11-5-7-12(13)8-6-11/h2,4-8H,3,9H2,1H3,(H,14,15)/b4-2+
InChIKey UJXIQTRTVHGUOX-DUXPYHPUSA-N
Mol Weight 268.15 g/mol
Molecular Formula C12H14BrNO
Exact Mass 267.025877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jhU7OzhuZ5
Name N-[(4-Bromophenyl)-3(E)-butenyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 267.025877074 u
Formula C12H14BrNO
InChI InChI=1S/C12H14BrNO/c1-10(15)14-9-3-2-4-11-5-7-12(13)8-6-11/h2,4-8H,3,9H2,1H3,(H,14,15)/b4-2+
InChIKey UJXIQTRTVHGUOX-DUXPYHPUSA-N
SMILES C(=O)(NCC\C=C\C1=CC=C(C=C1)Br)C