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3-[4-(4-FLUOROPHENYL)-PIPERAZIN-1-YL]-1-(BENZO-[B]-THIOPHEN-2-YL)-1-PROPANONE

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3-[4-(4-FLUOROPHENYL)-PIPERAZIN-1-YL]-1-(BENZO-[B]-THIOPHEN-2-YL)-1-PROPANONE
SpectraBase Compound ID 2aGQs0emExT
InChI InChI=1S/2C21H21FN2OS/c2*22-17-5-7-18(8-6-17)24-13-11-23(12-14-24)10-9-19(25)21-15-16-3-1-2-4-20(16)26-21/h2*1-8,15H,9-14H2
InChIKey BIIOFYVVPDRAGH-UHFFFAOYSA-N
Mol Weight 736.94 g/mol
Molecular Formula C42H42F2N4O2S2
Exact Mass 736.271725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNM7dhpjnHe
Name 3-[4-(4-FLUOROPHENYL)-PIPERAZIN-1-YL]-1-(BENZO-[B]-THIOPHEN-2-YL)-1-PROPANONE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42F2N4O2S2
InChI InChI=1S/2C21H21FN2OS/c2*22-17-5-7-18(8-6-17)24-13-11-23(12-14-24)10-9-19(25)21-15-16-3-1-2-4-20(16)26-21/h2*1-8,15H,9-14H2
InChIKey BIIOFYVVPDRAGH-UHFFFAOYSA-N
Literature Reference Author H.PESSOA-MAHANA,G.RECABARREN-GAJARDO,J.F.TEMER,G.ZAPATA-TORR ES,C.D.PESSOA-MAHANA
Literature Reference Citation MOLECULES,17,1388(2012)
Literature Reference DOI 10.3390/molecules17021388
Molecular Weight 736.938 g/mol
Sample ID 73113
Solvent CDCl3