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5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
SpectraBase Compound ID BmOyxOnh2tu
InChI InChI=1S/C21H22FNO2S/c22-17-3-1-14(2-4-17)20(24)15-5-9-23(10-6-15)11-7-16-13-19-18(21(16)25)8-12-26-19/h1-4,8,12,15-16H,5-7,9-11,13H2
InChIKey YJKQCYMQSRDUEQ-UHFFFAOYSA-N
Mol Weight 371.47 g/mol
Molecular Formula C21H22FNO2S
Exact Mass 371.135528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgGN0k1gHry
Name 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
Compound Number 5
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Formula C21H22FNO2S
InChI InChI=1S/C21H22FNO2S/c22-17-3-1-14(2-4-17)20(24)15-5-9-23(10-6-15)11-7-16-13-19-18(21(16)25)8-12-26-19/h1-4,8,12,15-16H,5-7,9-11,13H2
InChIKey YJKQCYMQSRDUEQ-UHFFFAOYSA-N
Literature Reference Author C.F.MASAGUER,E.RAVINA
Literature Reference Citation MAGN.RES.CHEM.,36,545(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199807)36:7<545::aid-omr330>3.0.co;2-a
Molecular Weight 371.470 g/mol
Solvent CDCl3
Source File Reference UWRU1521