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3-[2-(4-Phenyl-1-piperazinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine

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3-[2-(4-Phenyl-1-piperazinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
SpectraBase Compound ID 9DpITSmsYMQ
InChI InChI=1S/C20H21F3N4OS/c21-20(22,23)28-16-6-7-17-18(14-16)29-19(24)27(17)13-10-25-8-11-26(12-9-25)15-4-2-1-3-5-15/h1-7,14,24H,8-13H2
InChIKey ABHUMJXSVVFEPJ-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C20H21F3N4OS
Exact Mass 422.138817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJqgE2IK5qW
Name 3-[2-(4-Phenyl-1-piperazinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.138816974 u
Formula C20H21F3N4OS
InChI InChI=1S/C20H21F3N4OS/c21-20(22,23)28-16-6-7-17-18(14-16)29-19(24)27(17)13-10-25-8-11-26(12-9-25)15-4-2-1-3-5-15/h1-7,14,24H,8-13H2
InChIKey ABHUMJXSVVFEPJ-UHFFFAOYSA-N
Molecular Weight 422.470 g/mol
SMILES C1(N(C2=CC=C(OC(F)(F)F)C=C2S1)CCN1CCN(CC1)C1=CC=CC=C1)=N