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1-(4,7-DIMETHOXYBENZO-[B]-THIOPHEN-2-YL)-3-[(4-PYRIDIN-2-YL)-PIPERAZIN-1-YL]-1-PROPANOL
SpectraBase Compound ID 7BtbX9GB8C8
InChI InChI=1S/C22H27N3O3S/c1-27-18-6-7-19(28-2)22-16(18)15-20(29-22)17(26)8-10-24-11-13-25(14-12-24)21-5-3-4-9-23-21/h3-7,9,15,17,26H,8,10-14H2,1-2H3
InChIKey RKCRPXGKHFGCQO-UHFFFAOYSA-N
Mol Weight 413.54 g/mol
Molecular Formula C22H27N3O3S
Exact Mass 413.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkBOqRUDCc5
Name 1-(4,7-DIMETHOXYBENZO-[B]-THIOPHEN-2-YL)-3-[(4-PYRIDIN-2-YL)-PIPERAZIN-1-YL]-1-PROPANOL
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N3O3S
InChI InChI=1S/C22H27N3O3S/c1-27-18-6-7-19(28-2)22-16(18)15-20(29-22)17(26)8-10-24-11-13-25(14-12-24)21-5-3-4-9-23-21/h3-7,9,15,17,26H,8,10-14H2,1-2H3
InChIKey RKCRPXGKHFGCQO-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 413.535 g/mol
Sample ID 73118
Solvent CDCl3