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3-{Benzyl[(ethoxycarbonyl)methyl]amino}-4,4,4-trifluoro-1-phenylbut-2-en-1-one
SpectraBase Compound ID GSR44S5ibXd
InChI InChI=1S/C21H20F3NO3/c1-2-28-20(27)15-25(14-16-9-5-3-6-10-16)19(21(22,23)24)13-18(26)17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3/b19-13-
InChIKey LVICRFBXQNXEFW-UYRXBGFRSA-N
Mol Weight 391.39 g/mol
Molecular Formula C21H20F3NO3
Exact Mass 391.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DN7GKJbLuAk
Name 3-{Benzyl[(ethoxycarbonyl)methyl]amino}-4,4,4-trifluoro-1-phenylbut-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H20F3NO3
InChI InChI=1S/C21H20F3NO3/c1-2-28-20(27)15-25(14-16-9-5-3-6-10-16)19(21(22,23)24)13-18(26)17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3/b19-13-
InChIKey LVICRFBXQNXEFW-UYRXBGFRSA-N
Molecular Weight 391.390 g/mol
SMILES C(\C=C\(N(CC(=O)OCC)Cc1ccccc1)C(F)(F)F)(=O)c1ccccc1
SPLASH splash10-0006-9000000000-c3bceadf8f4d15ec8e0f
Source of Spectrum AC-134-730-6
Synonyms 4-{Benzyl[(ethoxycarbonyl)methyl]amino}-4,4,4-trifluoro-1-phenylbut-2-en-1-one ethyl {benzyl[(1Z)-3-oxo-3-phenyl-1-(trifluoromethyl)-1-propenyl]amino}acetate
Wiley ID 812495