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4-{Benzyl[(ethoxycarbonyl)methyl]amino}-1,1,1-trifluoro-4-phenylbut-3-en-2-one
SpectraBase Compound ID LaoizCYwBAR
InChI InChI=1S/C21H20F3NO3/c1-2-28-20(27)15-25(14-16-9-5-3-6-10-16)18(13-19(26)21(22,23)24)17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3/b18-13+
InChIKey KRACBDZPFYEUGT-QGOAFFKASA-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 AyPuSAObPoj
Name 4-{Benzyl[(ethoxycarbonyl)methyl]amino}-1,1,1-trifluoro-4-phenylbut-3-en-2-one
Alternate Name(s) Ethyl {benzyl[(1E)-4,4,4-trifluoro-3-oxo-1-phenyl-1-butenyl]amino}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20F3NO3
InChI InChI=1S/C21H20F3NO3/c1-2-28-20(27)15-25(14-16-9-5-3-6-10-16)18(13-19(26)21(22,23)24)17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3/b18-13+
InChIKey KRACBDZPFYEUGT-QGOAFFKASA-N
Molecular Weight 391.390 g/mol
SMILES C(N(\C(=C\C(C(F)(F)F)=O)c1ccccc1)Cc1ccccc1)C(=O)OCC
SPLASH splash10-0006-9003000000-a893928cb86a7a61d79f
Source of Spectrum AC-134-730-4
Wiley ID 812496