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3-[3-(4-phenyl-1-piperazinyl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
SpectraBase Compound ID ptJ9vMOcqt
InChI InChI=1S/C21H23F3N4OS/c22-21(23,24)29-17-7-8-18-19(15-17)30-20(25)28(18)10-4-9-26-11-13-27(14-12-26)16-5-2-1-3-6-16/h1-3,5-8,15,25H,4,9-14H2
InChIKey FWERNMPKOWJWRZ-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C21H23F3N4OS
Exact Mass 436.154467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIkkfGovR2H
Name 3-[3-(4-phenyl-1-piperazinyl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Alternate Name(s) 3-[3-(4-phenylpiperazin-1-yl)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine 3-[3-(4-phenylpiperazin-1-yl)propyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine [3-[3-(4-phenylpiperazino)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine
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Formula C21H23F3N4OS
InChI InChI=1S/C21H23F3N4OS/c22-21(23,24)29-17-7-8-18-19(15-17)30-20(25)28(18)10-4-9-26-11-13-27(14-12-26)16-5-2-1-3-6-16/h1-3,5-8,15,25H,4,9-14H2
InChIKey FWERNMPKOWJWRZ-UHFFFAOYSA-N
Molecular Weight 436.497 g/mol
SMILES N=C1N(c2ccc(OC(F)(F)F)cc2S1)CCCN1CCN(CC1)c1ccccc1
SPLASH splash10-0zna-0942000000-e28acfa4976e6e7995e6
Source of Spectrum F2-42-2838-81
Wiley ID 1600298