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METHYL-4-[(4'-BROMOPHENYL)-AMINO]-6-OXO-7,7,7-TRIFLUORO-4-HEPTENOATE
SpectraBase Compound ID WwRJE3cQSe
InChI InChI=1S/C14H13BrF3NO3/c1-22-13(21)7-6-11(8-12(20)14(16,17)18)19-10-4-2-9(15)3-5-10/h2-5,8,19H,6-7H2,1H3/b11-8-
InChIKey PLKQEERBDBCCTG-FLIBITNWSA-N
Mol Weight 380.16 g/mol
Molecular Formula C14H13BrF3NO3
Exact Mass 379.003091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wKuqpSoROF
Name Methyl 4-[N-(p-bromophenyl)amino]-6-oxo-7,7,7-trifluoro-4-heptenoate
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Formula C14H13BrF3NO3
InChI InChI=1S/C14H13BrF3NO3/c1-22-13(21)7-6-11(8-12(20)14(16,17)18)19-10-4-2-9(15)3-5-10/h2-5,8,19H,6-7H2,1H3/b11-8-
InChIKey PLKQEERBDBCCTG-FLIBITNWSA-N
Molecular Weight 380.161 g/mol
SMILES N(\C(=C/C(C(F)(F)F)=O)CCC(=O)OC)c1ccc(cc1)Br
SPLASH splash10-0059-2769000000-fb93da026772beb4520c
Source of Spectrum D9-19-189-3h
Wiley ID 1695422