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5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID 3VwOsAo6WJw
InChI InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
InChIKey WNRZHQBJSXRYJK-UHFFFAOYSA-N
Mol Weight 424.68 g/mol
Molecular Formula C17H12Cl3N5O2
Exact Mass 423.005658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PzlxLreWt
Name 5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]-1H-1,2,3-triazole-4-carboxamide
Alternate Name(s) 5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]triazole-4-carboxamide 5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide 5-amino-1-[[3,5-dichloro-4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-4-triazolecarboxamide 5-azanyl-1-[[3,5-bis(chloranyl)-4-(4-chlorophenyl)carbonyl-phenyl]methyl]-1,2,3-triazole-4-carboxamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12Cl3N5O2
InChI InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
InChIKey WNRZHQBJSXRYJK-UHFFFAOYSA-N
Molecular Weight 424.675 g/mol
SMILES Nc1c(C(=O)N)nn[n]1Cc1cc(Cl)c(c(c1)Cl)C(c1ccc(cc1)Cl)=O
SPLASH splash10-009i-0600900000-e2b686d848f43f9b32c1
Source of Spectrum Y-28-302-3
Wiley ID 1378876