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Penta-1,4-dien-3-one, 1-(2-chloro-6-fluorophenyl)-5-dimethylamino-
SpectraBase Compound ID HFrJnVWCbT6
InChI InChI=1S/C13H13ClFNO/c1-16(2)9-8-10(17)6-7-11-12(14)4-3-5-13(11)15/h3-9H,1-2H3/b7-6+,9-8+
InChIKey IBHIVQJKOJIYEH-BLHCBFLLSA-N
Mol Weight 253.7 g/mol
Molecular Formula C13H13ClFNO
Exact Mass 253.06697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5e7TQLChRiK
Name Penta-1,4-dien-3-one, 1-(2-chloro-6-fluorophenyl)-5-dimethylamino-
Alternate Name(s) (1E,4E)-1-(2-chloranyl-6-fluoranyl-phenyl)-5-(dimethylamino)penta-1,4-dien-3-one (1E,4E)-1-(2-chloro-6-fluoro-phenyl)-5-(dimethylamino)penta-1,4-dien-3-one (1E,4E)-1-(2-Chloro-6-fluorophenyl)-5-(dimethylamino)-1,4-pentadien-3-one (1E,4E)-1-(2-chloro-6-fluorophenyl)-5-(dimethylamino)-3-penta-1,4-dienone
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Formula C13H13ClFNO
InChI InChI=1S/C13H13ClFNO/c1-16(2)9-8-10(17)6-7-11-12(14)4-3-5-13(11)15/h3-9H,1-2H3/b7-6+,9-8+
InChIKey IBHIVQJKOJIYEH-BLHCBFLLSA-N
Molecular Weight 253.704 g/mol
SMILES c1(\C=C\C(\C=C\N(C)C)=O)c(Cl)cccc1F
SPLASH splash10-0gb9-5590000000-4387be1991bc5d419b14
Source of Spectrum AD-0-2532-0
Wiley ID 1427473