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Ethyl 2-(2-chloroacetamido)-2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoropropionate
SpectraBase Compound ID 956J2Kc02OY
InChI InChI=1S/C13H12Cl2F4N2O3/c1-2-24-11(23)12(13(17,18)19,21-10(22)6-14)20-7-3-4-9(16)8(15)5-7/h3-5,20H,2,6H2,1H3,(H,21,22)
InChIKey JDSIJGHRGSYAOH-UHFFFAOYSA-N
Mol Weight 391.15 g/mol
Molecular Formula C13H12Cl2F4N2O3
Exact Mass 390.01611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2qabiLUNY7
Name Ethyl 2-(2-chloroacetamido)-2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoropropionate
CAS Registry Number 339352-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12Cl2F4N2O3
InChI InChI=1S/C13H12Cl2F4N2O3/c1-2-24-11(23)12(13(17,18)19,21-10(22)6-14)20-7-3-4-9(16)8(15)5-7/h3-5,20H,2,6H2,1H3,(H,21,22)
InChIKey JDSIJGHRGSYAOH-UHFFFAOYSA-N
Molecular Weight 391.150 g/mol
SMILES N(c1ccc(c(c1)Cl)F)C(C(=O)OCC)(C(F)(F)F)NC(=O)CCl
SPLASH splash10-002f-9762000000-9c372c96f3471d45f170
Synonyms 2-(3-Chloro-4-fluoroanilino)-2-[(2-chloro-1-oxoethyl)amino]-3,3,3-trifluoropropanoic acid ethyl ester 2-[(2-chloroacetyl)amino]-2-(3-chloro-4-fluoro-anilino)-3,3,3-trifluoro-propionic acid ethyl ester Ethyl 2-(2-chloranylethanoylamino)-2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3,3,3-tris(fluoranyl)propanoate Ethyl 2-[(2-chloroacetyl)amino]-2-(3-chloro-4-fluoro-anilino)-3,3,3-trifluoro-propanoate Ethyl 2-[(chloroacetyl)amino]-2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoropropanoate
Wiley ID 1469161