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4-[(2E)-3-(3,4-dichlorophenyl)-2-propenoyl]morpholine
SpectraBase Compound ID 2UDBqKuXWzG
InChI InChI=1S/C13H13Cl2NO2/c14-11-3-1-10(9-12(11)15)2-4-13(17)16-5-7-18-8-6-16/h1-4,9H,5-8H2/b4-2+
InChIKey KEBHAGCGNZKVDO-DUXPYHPUSA-N
Mol Weight 286.16 g/mol
Molecular Formula C13H13Cl2NO2
Exact Mass 285.032334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNNgd3DI1nH
Name 4-[(2E)-3-(3,4-Dichlorophenyl)-2-propenoyl]morpholine
Comments Computed using HOSE algorithm
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Exact Mass 285.032334061 u
Formula C13H13Cl2NO2
InChI InChI=1S/C13H13Cl2NO2/c14-11-3-1-10(9-12(11)15)2-4-13(17)16-5-7-18-8-6-16/h1-4,9H,5-8H2/b4-2+
InChIKey KEBHAGCGNZKVDO-DUXPYHPUSA-N
SMILES C(N1CCOCC1)(\C=C\C=1C=C(Cl)C(=CC1)Cl)=O