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cis-1-Benzyl-5-(4-chlorophenyl)-4-fluoropyrrolidin-2-one
SpectraBase Compound ID ApiGCwpM7n6
InChI InChI=1S/C17H15ClFNO/c18-14-8-6-13(7-9-14)17-15(19)10-16(21)20(17)11-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2/t15-,17-/m1/s1
InChIKey HDCNQQUDTYWFDZ-NVXWUHKLSA-N
Mol Weight 303.76 g/mol
Molecular Formula C17H15ClFNO
Exact Mass 303.08262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXiqMFOgUc5
Name cis-1-Benzyl-5-(4-chlorophenyl)-4-fluoropyrrolidin-2-one
Appearance Pale-yellow oil
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Formula C17H15ClFNO
InChI InChI=1S/C17H15ClFNO/c18-14-8-6-13(7-9-14)17-15(19)10-16(21)20(17)11-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2/t15-,17-/m1/s1
InChIKey HDCNQQUDTYWFDZ-NVXWUHKLSA-N
Instrument Name Thermo Finnigan Polaris Q
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900685
Molecular Weight 303.764 g/mol
Quality 111
Reported Formula C17H15ClFNO
SMILES C1(=CC=CC=C1)CN1C(C[C@]([C@]1(C1=CC=C(C=C1)Cl)[H])(F)[H])=O
SPLASH splash10-001i-0911000000-d4b2237ff0a5e09db3ae
Source of Spectrum K1-2019-4716-cis-2i (DOI: 10.1002/ejoc.201900685)
Wiley ID 1891987