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4-[4-(1-Benzothien-3-ylcarbonyl)-1-piperazinyl]phenyl methyl ether

View entire compound with spectra: 2 NMR

4-[4-(1-Benzothien-3-ylcarbonyl)-1-piperazinyl]phenyl methyl ether
SpectraBase Compound ID F8IW2D1M8Di
InChI InChI=1S/C20H20N2O2S/c1-24-16-8-6-15(7-9-16)21-10-12-22(13-11-21)20(23)18-14-25-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3
InChIKey VILXIJPVPYAJIN-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H20N2O2S
Exact Mass 352.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyqoNbGYpCV
Name 4-[4-(1-Benzothien-3-ylcarbonyl)-1-piperazinyl]phenyl methyl ether
Comments Computed using HOSE algorithm
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Exact Mass 352.124549064 u
Formula C20H20N2O2S
InChI InChI=1S/C20H20N2O2S/c1-24-16-8-6-15(7-9-16)21-10-12-22(13-11-21)20(23)18-14-25-19-5-3-2-4-17(18)19/h2-9,14H,10-13H2,1H3
InChIKey VILXIJPVPYAJIN-UHFFFAOYSA-N
Molecular Weight 352.452 g/mol
SMILES C1(C(N2CCN(CC2)C=2C=CC(=CC2)OC)=O)=CSC2=C1C=CC=C2