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(2E)-3-(4-bromophenyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-2-propenamide
SpectraBase Compound ID AhcDBAu6DJ7
InChI InChI=1S/C17H20BrNO/c18-16-9-6-15(7-10-16)8-11-17(20)19-13-12-14-4-2-1-3-5-14/h4,6-11H,1-3,5,12-13H2,(H,19,20)/b11-8+
InChIKey QPYHKQNHHCYUMS-DHZHZOJOSA-N
Mol Weight 334.26 g/mol
Molecular Formula C17H20BrNO
Exact Mass 333.072827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iAeYhLgtBX
Name (2E)-3-(4-Bromophenyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 333.072827267 u
Formula C17H20BrNO
InChI InChI=1S/C17H20BrNO/c18-16-9-6-15(7-10-16)8-11-17(20)19-13-12-14-4-2-1-3-5-14/h4,6-11H,1-3,5,12-13H2,(H,19,20)/b11-8+
InChIKey QPYHKQNHHCYUMS-DHZHZOJOSA-N
Molecular Weight 334.257 g/mol
SMILES N(C(\C=C\C=1C=CC(=CC1)Br)=O)CCC1=CCCCC1