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5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
SpectraBase Compound ID AbBSWuTrIE7
InChI InChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2
InChIKey AJNQCCIFRZGSQR-UHFFFAOYSA-N
Mol Weight 385.5 g/mol
Molecular Formula C22H24FNO2S
Exact Mass 385.151178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ynr6kP2NxM
Name 5-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
Compound Number 6
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Formula C22H24FNO2S
InChI InChI=1S/C22H24FNO2S/c23-18-4-1-15(2-5-18)21(25)17-8-12-24(13-9-17)11-7-16-3-6-20-19(22(16)26)10-14-27-20/h1-2,4-5,10,14,16-17H,3,6-9,11-13H2
InChIKey AJNQCCIFRZGSQR-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 385.496 g/mol
Solvent CDCl3
Source File Reference UWRU1522