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trans-3-Fluoro-3-methyl-4-(4-methylphenyl)-1-phenyl-2-azetinone
SpectraBase Compound ID DFo0iBPSWml
InChI InChI=1S/C17H16FNO/c1-12-8-10-13(11-9-12)15-17(2,18)16(20)19(15)14-6-4-3-5-7-14/h3-11,15H,1-2H3/t15-,17+/m1/s1
InChIKey XWPKVCXXQXNFIB-WBVHZDCISA-N
Mol Weight 269.32 g/mol
Molecular Formula C17H16FNO
Exact Mass 269.121592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 279KI9E3xyK
Name trans-3-Fluoro-3-methyl-4-(4-methylphenyl)-1-phenyl-2-azetinone
Comments Less than 3 mono-isotopic peaks
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Formula C17H16FNO
InChI InChI=1S/C17H16FNO/c1-12-8-10-13(11-9-12)15-17(2,18)16(20)19(15)14-6-4-3-5-7-14/h3-11,15H,1-2H3/t15-,17+/m1/s1
InChIKey XWPKVCXXQXNFIB-WBVHZDCISA-N
Molecular Weight 269.319 g/mol
SMILES [C@@]1(C(=O)N([C@@]1(c1ccc(cc1)C)[H])c1ccccc1)(F)C
SPLASH splash10-0udi-0900000000-2927194b750ac4b3c80b
Source of Spectrum F-52-260-3
Synonyms (3S,4R)-3-fluoro-3-methyl-4-(4-methylphenyl)-1-phenyl-2-azetidinone
Wiley ID 794606