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4-Chlorobutyl 4-(2-bromo-4,5-methylenedioxyphenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate

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4-Chlorobutyl 4-(2-bromo-4,5-methylenedioxyphenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
SpectraBase Compound ID 7mI3XOKht39
InChI InChI=1S/C17H18BrClN2O5/c1-9-14(16(22)24-5-3-2-4-19)15(21-17(23)20-9)10-6-12-13(7-11(10)18)26-8-25-12/h6-7,15H,2-5,8H2,1H3,(H2,20,21,23)
InChIKey CVKINSILOIHDDN-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C17H18BrClN2O5
Exact Mass 444.008762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FldO1Bp4RiC
Name 4-Chlorobutyl 4-(2-bromo-4,5-methylenedioxyphenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
Alternate Name(s) 4-Chlorobutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 4-(6-Bromo-benzo[1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 4-chloro-butyl ester 5-Pyrimidinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 4-chlorobutyl ester
CAS Registry Number 295344-38-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18BrClN2O5
InChI InChI=1S/C17H18BrClN2O5/c1-9-14(16(22)24-5-3-2-4-19)15(21-17(23)20-9)10-6-12-13(7-11(10)18)26-8-25-12/h6-7,15H,2-5,8H2,1H3,(H2,20,21,23)
InChIKey CVKINSILOIHDDN-UHFFFAOYSA-N
Molecular Weight 445.697 g/mol
SMILES N1C(NC(=C(C1c1c(cc2c(c1)OCO2)Br)C(=O)OCCCCCl)C)=O
SPLASH splash10-052f-9311000000-be6bf7891aac074cf92e
Wiley ID 1469636