For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,2S,3R)-3-(2-Chloro-phenyl)-2-(4-chloro-phenyl)-1,2-dicyano-cyclopropanecarboxylic acid ethyl ester
SpectraBase Compound ID LUy86439dbU
InChI InChI=1S/C20H14Cl2N2O2/c1-2-26-18(25)20(12-24)17(15-5-3-4-6-16(15)22)19(20,11-23)13-7-9-14(21)10-8-13/h3-10,17H,2H2,1H3/t17-,19+,20-/m1/s1
InChIKey VCCHKNSSNHELLA-YZGWKJHDSA-N
Mol Weight 385.25 g/mol
Molecular Formula C20H14Cl2N2O2
Exact Mass 384.043233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BtBrFMIi1f3
Name (1S,2S,3R)-3-(2-Chloro-phenyl)-2-(4-chloro-phenyl)-1,2-dicyano-cyclopropanecarboxylic acid ethyl ester
Alternate Name(s) Ethyl 3-(2-Chlorophenyl)-1,2-dicyano-2-(4-chlorophenyl)cyclopropanecarboxylate (1S,2S,3R)-3-(2-chlorophenyl)-2-(4-chlorophenyl)-1,2-dicyano-1-cyclopropanecarboxylic acid ethyl ester ethyl (1S,2S,3R)-3-(2-chlorophenyl)-2-(4-chlorophenyl)-1,2-dicyanocyclopropane-1-carboxylate ethyl (1S,2S,3R)-3-(2-chlorophenyl)-2-(4-chlorophenyl)-1,2-dicyano-cyclopropanecarboxylate ethyl (1S,2S,3R)-3-(2-chlorophenyl)-2-(4-chlorophenyl)-1,2-dicyano-cyclopropane-1-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14Cl2N2O2
InChI InChI=1S/C20H14Cl2N2O2/c1-2-26-18(25)20(12-24)17(15-5-3-4-6-16(15)22)19(20,11-23)13-7-9-14(21)10-8-13/h3-10,17H,2H2,1H3/t17-,19+,20-/m1/s1
InChIKey VCCHKNSSNHELLA-YZGWKJHDSA-N
Molecular Weight 385.250 g/mol
SMILES [C@@]1([C@@](C#N)(c2ccc(cc2)Cl)[C@]1(c1c(Cl)cccc1)[H])(C(=O)OCC)C#N
SPLASH splash10-000i-0009000000-80c92513b922512d3871
Source of Spectrum U1-2010-1986-5b
Wiley ID 1663513