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(1S,2R,3R)-3-(4-Bromo-phenyl)-2-(4-chloro-phenyl)-1,2-dicyano-cyclopropanecarboxylic acid ethyl ester
SpectraBase Compound ID 7xmPyQs7aIk
InChI InChI=1S/C20H14BrClN2O2/c1-2-26-18(25)20(12-24)17(13-3-7-15(21)8-4-13)19(20,11-23)14-5-9-16(22)10-6-14/h3-10,17H,2H2,1H3/t17-,19-,20-/m1/s1
InChIKey RMVWKWVJQWZLON-MISYRCLQSA-N
Mol Weight 429.7 g/mol
Molecular Formula C20H14BrClN2O2
Exact Mass 427.992718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HASAmSxPd0
Name (1S,2R,3R)-3-(4-Bromo-phenyl)-2-(4-chloro-phenyl)-1,2-dicyano-cyclopropanecarboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H14BrClN2O2
InChI InChI=1S/C20H14BrClN2O2/c1-2-26-18(25)20(12-24)17(13-3-7-15(21)8-4-13)19(20,11-23)14-5-9-16(22)10-6-14/h3-10,17H,2H2,1H3/t17-,19-,20-/m1/s1
InChIKey RMVWKWVJQWZLON-MISYRCLQSA-N
Molecular Weight 429.701 g/mol
SMILES [C@@]1([C@](C#N)(c2ccc(cc2)Cl)[C@]1(c1ccc(cc1)Br)[H])(C(=O)OCC)C#N
SPLASH splash10-003r-0000900000-813582d6a9ed962a206f
Source of Spectrum U1-2010-1986-5c'
Synonyms Ethyl 3-(4-Bromophenyl)-2-(4-chlorophenyl)-1,2-dicyanocyclopropanecarboxylate isomer (1S,2R,3R)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1,2-dicyano-1-cyclopropanecarboxylic acid ethyl ester ethyl (1S,2R,3R)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1,2-dicyanocyclopropane-1-carboxylate ethyl (1S,2R,3R)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1,2-dicyano-cyclopropanecarboxylate ethyl (1S,2R,3R)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1,2-dicyano-cyclopropane-1-carboxylate
Wiley ID 1663510