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(4a-chloranyl-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-fluorophenyl)methanone
SpectraBase Compound ID 5tOxjNLIMit
InChI InChI=1S/C22H23ClFNO/c23-22-13-5-4-8-19(22)20(16-6-2-1-3-7-16)25(15-14-22)21(26)17-9-11-18(24)12-10-17/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKey LWLNKFVUOFWRQO-UHFFFAOYSA-N
Mol Weight 371.88 g/mol
Molecular Formula C22H23ClFNO
Exact Mass 371.14522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5qd3963kUn
Name (4a-chloranyl-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-fluorophenyl)methanone
Alternate Name(s) (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-fluorophenyl)methanone Isoquinoline, 4a-chloro-2-(4-fluorobenzoyl)decahydro-1-phenyl-
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Formula C22H23ClFNO
InChI InChI=1S/C22H23ClFNO/c23-22-13-5-4-8-19(22)20(16-6-2-1-3-7-16)25(15-14-22)21(26)17-9-11-18(24)12-10-17/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKey LWLNKFVUOFWRQO-UHFFFAOYSA-N
Molecular Weight 371.883 g/mol
SMILES c1ccc(C2N(C(c3ccc(cc3)F)=O)CCC3(Cl)CCCCC23)cc1
SPLASH splash10-00di-7900000000-3a8c299d413322bc33f2
Wiley ID 1449806