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p-Bromophenyl 5-morpholino-4-(2-pyridyl)-2-thienyl ketone

View entire compound with spectra: 2 NMR, and 1 FTIR

p-Bromophenyl 5-morpholino-4-(2-pyridyl)-2-thienyl ketone
SpectraBase Compound ID C0QbDDDKcFf
InChI InChI=1S/C20H17BrN2O2S/c21-15-6-4-14(5-7-15)19(24)18-13-16(17-3-1-2-8-22-17)20(26-18)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKey DQEPTXTZVPTXIX-UHFFFAOYSA-N
Mol Weight 429.33 g/mol
Molecular Formula C20H17BrN2O2S
Exact Mass 428.019412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhGwnEqYi9q
Name p-Bromophenyl 5-morpholino-4-(2-pyridyl)-2-thienyl ketone
Comments Computed using HOSE algorithm
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Exact Mass 428.019411967 u
Formula C20H17BrN2O2S
InChI InChI=1S/C20H17BrN2O2S/c21-15-6-4-14(5-7-15)19(24)18-13-16(17-3-1-2-8-22-17)20(26-18)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKey DQEPTXTZVPTXIX-UHFFFAOYSA-N
Molecular Weight 429.332 g/mol
SMILES C=1C=C(C=CC1Br)C(=O)C=1SC(=C(C1)C1=NC=CC=C1)N1CCOCC1