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5-(Dimethylamino)-4-(p-phenoxyphenyl)-2-thienyl phenyl ketone

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

5-(Dimethylamino)-4-(p-phenoxyphenyl)-2-thienyl phenyl ketone
SpectraBase Compound ID KJFowMP0Prm
InChI InChI=1S/C25H21NO2S/c1-26(2)25-22(17-23(29-25)24(27)19-9-5-3-6-10-19)18-13-15-21(16-14-18)28-20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKey UBLDMVWCYACHNL-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C25H21NO2S
Exact Mass 399.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Dv5x1X4NoR
Name 5-(Dimethylamino)-4-(p-phenoxyphenyl)-2-thienyl phenyl ketone
Comments Computed using HOSE algorithm
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Exact Mass 399.129300092 u
Formula C25H21NO2S
InChI InChI=1S/C25H21NO2S/c1-26(2)25-22(17-23(29-25)24(27)19-9-5-3-6-10-19)18-13-15-21(16-14-18)28-20-11-7-4-8-12-20/h3-17H,1-2H3
InChIKey UBLDMVWCYACHNL-UHFFFAOYSA-N
Molecular Weight 399.508 g/mol
SMILES CN(C1=C(C=C(S1)C(=O)C1=CC=CC=C1)C1=CC=C(C=C1)OC=1C=CC=CC1)C