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1-(4,7-DIMETHOXYBENZO-[B]-THIOPHEN-2-YL)-3-[4-(4-NITROPHENYL)-PIPERAZIN-1-YL]-1-PROPANOL

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1-(4,7-DIMETHOXYBENZO-[B]-THIOPHEN-2-YL)-3-[4-(4-NITROPHENYL)-PIPERAZIN-1-YL]-1-PROPANOL
SpectraBase Compound ID CpwRqrtE67w
InChI InChI=1S/C23H27N3O5S/c1-30-20-7-8-21(31-2)23-18(20)15-22(32-23)19(27)9-10-24-11-13-25(14-12-24)16-3-5-17(6-4-16)26(28)29/h3-8,15,19,27H,9-14H2,1-2H3
InChIKey OWZSSPABDGBJIA-UHFFFAOYSA-N
Mol Weight 457.55 g/mol
Molecular Formula C23H27N3O5S
Exact Mass 457.167142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPW81uW1N9I
Name 1-(4,7-DIMETHOXYBENZO-[B]-THIOPHEN-2-YL)-3-[4-(4-NITROPHENYL)-PIPERAZIN-1-YL]-1-PROPANOL
Compound Number 8F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27N3O5S
InChI InChI=1S/C23H27N3O5S/c1-30-20-7-8-21(31-2)23-18(20)15-22(32-23)19(27)9-10-24-11-13-25(14-12-24)16-3-5-17(6-4-16)26(28)29/h3-8,15,19,27H,9-14H2,1-2H3
InChIKey OWZSSPABDGBJIA-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 457.544 g/mol
Sample ID 73119
Solvent CDCl3