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Cyclopentyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID KlOIwqlJR2W
InChI InChI=1S/C18H21IN2O3/c1-11-15(17(22)24-12-7-3-4-8-12)16(20-18(23)21(11)2)13-9-5-6-10-14(13)19/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKey BJKCPFJYELHPRI-UHFFFAOYSA-N
Mol Weight 440.28 g/mol
Molecular Formula C18H21IN2O3
Exact Mass 440.059688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELUfdcbKs3Y
Name Cyclopentyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CAS Registry Number 301322-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21IN2O3
InChI InChI=1S/C18H21IN2O3/c1-11-15(17(22)24-12-7-3-4-8-12)16(20-18(23)21(11)2)13-9-5-6-10-14(13)19/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKey BJKCPFJYELHPRI-UHFFFAOYSA-N
Molecular Weight 440.281 g/mol
SMILES N1C(N(C(=C(C1c1c(cccc1)I)C(OC1CCCC1)=O)C)C)=O
SPLASH splash10-014r-5942000000-fb91ca39aa53e8127866
Synonyms 4-(2-Iodo-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid cyclopentyl ester 6-(2-iodophenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid cyclopentyl ester 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid cyclopentyl ester cyclopentyl 6-(2-iodanylphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate cyclopentyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Wiley ID 1459205