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Ethyl 2'-chloro-3'-cyano-6'-[(trifluoroacetyl)amino]biphenyl-4-carboxylate
SpectraBase Compound ID 9VKbBwZ6ZBe
InChI InChI=1S/C18H12ClF3N2O3/c1-2-27-16(25)11-5-3-10(4-6-11)14-13(24-17(26)18(20,21)22)8-7-12(9-23)15(14)19/h3-8H,2H2,1H3,(H,24,26)
InChIKey REQGKDPODBTPKJ-UHFFFAOYSA-N
Mol Weight 396.75 g/mol
Molecular Formula C18H12ClF3N2O3
Exact Mass 396.048854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 558RlqQkb2
Name Ethyl 2'-chloro-3'-cyano-6'-[(trifluoroacetyl)amino]biphenyl-4-carboxylate
Alternate Name(s) Ethyl 2'-chloro-3'-cyano-6'-(2,2,2-trifluoroacetamido)-[1,1'-biphenyl]-4-carboxylate
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Formula C18H12ClF3N2O3
InChI InChI=1S/C18H12ClF3N2O3/c1-2-27-16(25)11-5-3-10(4-6-11)14-13(24-17(26)18(20,21)22)8-7-12(9-23)15(14)19/h3-8H,2H2,1H3,(H,24,26)
InChIKey REQGKDPODBTPKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201205465
Molecular Weight 396.753 g/mol
SMILES N(c1c(-c2ccc(cc2)C(OCC)=O)c(c(cc1)C#N)Cl)C(=O)C(F)(F)F
SPLASH splash10-0udi-1229000000-dcb0643004fea1b1ac53
Source of Spectrum ACI-51-SM18-4i
Wiley ID 1780740