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4-(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)benzoic acid methyl ester
SpectraBase Compound ID BbPfjlDesUQ
InChI InChI=1S/C11H7Br2F3O2/c1-18-10(17)7-4-2-6(3-5-7)8(9(12)13)11(14,15)16/h2-5H,1H3
InChIKey TWAJLNNUAGLAMU-UHFFFAOYSA-N
Mol Weight 387.98 g/mol
Molecular Formula C11H7Br2F3O2
Exact Mass 385.87649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1fKaImeDmD
Name 4-(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)benzoic acid methyl ester
Alternate Name(s) 4-[2,2-dibromo-1-(trifluoromethyl)vinyl]benzoic acid methyl ester Methyl 4-(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)benzoate Methyl 4-[1,1-bis(bromanyl)-3,3,3-tris(fluoranyl)prop-1-en-2-yl]benzoate
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Formula C11H7Br2F3O2
InChI InChI=1S/C11H7Br2F3O2/c1-18-10(17)7-4-2-6(3-5-7)8(9(12)13)11(14,15)16/h2-5H,1H3
InChIKey TWAJLNNUAGLAMU-UHFFFAOYSA-N
Molecular Weight 387.978 g/mol
SMILES C(C(F)(F)F)(=C(Br)Br)c1ccc(C(=O)OC)cc1
SPLASH splash10-0a4i-0109000000-33d8faf1c68035040f80
Source of Spectrum AJ-72-1370-2
Wiley ID 775116