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methyl 4-(4-chlorophenyl)-3-fluoro-4-oxo-2-phenyl-but-2-enoate
SpectraBase Compound ID CtZsXcoEBzN
InChI InChI=1S/C17H12ClFO3/c1-22-17(21)14(11-5-3-2-4-6-11)15(19)16(20)12-7-9-13(18)10-8-12/h2-10H,1H3
InChIKey OSBGECWXCMFLJC-UHFFFAOYSA-N
Mol Weight 318.73 g/mol
Molecular Formula C17H12ClFO3
Exact Mass 318.0459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oB42qSkAJy
Name methyl 4-(4-chlorophenyl)-3-fluoro-4-oxo-2-phenyl-but-2-enoate
Appearance Colorless oil
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Exact Mass 318.045900106 u
Formula C17H12ClFO3
InChI InChI=1S/C17H12ClFO3/c1-22-17(21)14(11-5-3-2-4-6-11)15(19)16(20)12-7-9-13(18)10-8-12/h2-10H,1H3
InChIKey OSBGECWXCMFLJC-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611625
Molecular Weight 318.731 g/mol
Quality 216
Reported Formula C17H12O3F(35)Cl
SMILES C1=CC(=CC=C1)C(=C(C(C1=CC=C(C=C1)Cl)=O)F)C(OC)=O
SPLASH splash10-0gy9-0914000000-125b6edba96a8bece527
Source of Spectrum ACI-56-SM25-9d (DOI: 10.1002/anie.201611625)
Wiley ID 1892938