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Pentanamide, N-(2-chloro-5-nitrophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)(2,2,2-trifluoroacetyl)amino]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID 8kAOXcOgzmy
InChI InChI=1S/C21H17Cl3F3N3O6/c1-20(2,3)17(32)15(18(33)28-14-8-9(30(35)36)4-5-11(14)22)29(19(34)21(25,26)27)10-6-12(23)16(31)13(24)7-10/h4-8,15,31H,1-3H3,(H,28,33)
InChIKey MHUTWDKOLVVBEX-UHFFFAOYSA-N
Mol Weight 570.74 g/mol
Molecular Formula C21H17Cl3F3N3O6
Exact Mass 569.013503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3y8noMdJYYq
Name Pentanamide, N-(2-chloro-5-nitrophenyl)-2-[(3,5-dichloro-4-hydroxyphenyl)(2,2,2-trifluoroacetyl)amino]-4,4-dimethyl-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17Cl3F3N3O6
InChI InChI=1S/C21H17Cl3F3N3O6/c1-20(2,3)17(32)15(18(33)28-14-8-9(30(35)36)4-5-11(14)22)29(19(34)21(25,26)27)10-6-12(23)16(31)13(24)7-10/h4-8,15,31H,1-3H3,(H,28,33)
InChIKey MHUTWDKOLVVBEX-UHFFFAOYSA-N
Molecular Weight 570.736 g/mol
SMILES Oc1c(cc(N(C(C(Nc2cc([N+]([O-])=O)ccc2Cl)=O)C(=O)C(C)(C)C)C(=O)C(F)(F)F)cc1Cl)Cl
SPLASH splash10-000i-9611320000-f625034514775411cf16
Source of Spectrum JX-2015-4-1226
Synonyms N-(2-chloro-5-nitrophenyl)-2-(N-(3,5-dichloro-4-hydroxyphenyl)-2,2,2-trifluoroacetamido)-4,4-dimethyl-3-oxopentanamide N-(2-chloro-5-nitrophenyl)-N2-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-3-oxo-N2-(trifluoroacetyl)leucinamide N-(2-chloro-5-nitrophenyl)-2-(3,5-dichloro-4-hydroxy-N-(2,2,2-trifluoro-1-oxoethyl)anilino)-4,4-dimethyl-3-oxopentanamide N-(2-chloro-5-nitrophenyl)-2-(3,5-dichloro-4-hydroxy-N-(2,2,2-trifluoroacetyl)anilino)-4,4-dimethyl-3-oxopentanamide N-(2-chloro-5-nitro-phenyl)-2-(3,5-dichloro-4-hydroxy-N-(2,2,2-trifluoroacetyl)anilino)-4,4-dimethyl-3-oxo-pentanamide 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]-N-(2-chloranyl-5-nitro-phenyl)-4,4-dimethyl-3-oxidanylidene-pentanamide
Wiley ID 1726619