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Butyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID ANYfg4mkHSi
InChI InChI=1S/C17H21IN2O3/c1-4-5-10-23-16(21)14-11(2)20(3)17(22)19-15(14)12-8-6-7-9-13(12)18/h6-9,15H,4-5,10H2,1-3H3,(H,19,22)
InChIKey XNZSWJNNEQKBEI-UHFFFAOYSA-N
Mol Weight 428.27 g/mol
Molecular Formula C17H21IN2O3
Exact Mass 428.059688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GY4daiWeesL
Name Butyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Alternate Name(s) 4-(2-Iodo-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid butyl ester 6-(2-iodophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid butyl ester 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid butyl ester Butyl 6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Butyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS Registry Number 313969-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21IN2O3
InChI InChI=1S/C17H21IN2O3/c1-4-5-10-23-16(21)14-11(2)20(3)17(22)19-15(14)12-8-6-7-9-13(12)18/h6-9,15H,4-5,10H2,1-3H3,(H,19,22)
InChIKey XNZSWJNNEQKBEI-UHFFFAOYSA-N
Molecular Weight 428.270 g/mol
SMILES N1C(N(C(=C(C1c1c(cccc1)I)C(OCCCC)=O)C)C)=O
SPLASH splash10-004i-5893000000-878659e318a92d3876cd
Wiley ID 1459191