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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MfgrYGWhM
Name 1-[.beta.-(4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophen-5-yl)ethyl]-4-(p-fluorobenzoyl)piperidine
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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
Instrument Name Micromass QMD 1000
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19980630)12_12_793
Molecular Weight 385.497 g/mol
SMILES c12C(C(CCc2scc1)CCN1CCC(CC1)C(=O)c1ccc(cc1)F)=O
SPLASH splash10-00e9-0590000000-6704563abd3dd5709fd7
Source of Spectrum RCM-12-795-6
Wiley ID 1836142