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4-Chlorobutyl 4-(3,4-dichlorophenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
SpectraBase Compound ID DEpI6lSk0Lf
InChI InChI=1S/C16H17Cl3N2O3/c1-9-13(15(22)24-7-3-2-6-17)14(21-16(23)20-9)10-4-5-11(18)12(19)8-10/h4-5,8,14H,2-3,6-7H2,1H3,(H2,20,21,23)
InChIKey WSIJGRXWCLQXMV-UHFFFAOYSA-N
Mol Weight 391.68 g/mol
Molecular Formula C16H17Cl3N2O3
Exact Mass 390.030476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wmtfnfICxm
Name 4-Chlorobutyl 4-(3,4-dichlorophenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
Alternate Name(s) 4-Chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 4-Chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 4-Chlorobutyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate 5-Pyrimidinecarboxylic acid, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 4-chlorobutyl ester
CAS Registry Number 295344-33-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17Cl3N2O3
InChI InChI=1S/C16H17Cl3N2O3/c1-9-13(15(22)24-7-3-2-6-17)14(21-16(23)20-9)10-4-5-11(18)12(19)8-10/h4-5,8,14H,2-3,6-7H2,1H3,(H2,20,21,23)
InChIKey WSIJGRXWCLQXMV-UHFFFAOYSA-N
Molecular Weight 391.682 g/mol
SMILES N1C(NC(=C(C1c1cc(c(cc1)Cl)Cl)C(=O)OCCCCCl)C)=O
SPLASH splash10-052p-9320000000-a0fa969984ce187c0a85
Wiley ID 1469637