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Cycloheptyl 4-(3,4-dichlorophenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
SpectraBase Compound ID 9Z1W4WnZj0z
InChI InChI=1S/C19H22Cl2N2O3/c1-11-16(18(24)26-13-6-4-2-3-5-7-13)17(23-19(25)22-11)12-8-9-14(20)15(21)10-12/h8-10,13,17H,2-7H2,1H3,(H2,22,23,25)
InChIKey AGRPSXWHMDRNFP-UHFFFAOYSA-N
Mol Weight 397.3 g/mol
Molecular Formula C19H22Cl2N2O3
Exact Mass 396.100748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cYvyq8MMtV
Name Cycloheptyl 4-(3,4-dichlorophenyl)-3,4-dihydro-6-methyl-2(1H)-oxopyrimidine-5-carboxylate
Alternate Name(s) Cycloheptyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CAS Registry Number 295344-39-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22Cl2N2O3
InChI InChI=1S/C19H22Cl2N2O3/c1-11-16(18(24)26-13-6-4-2-3-5-7-13)17(23-19(25)22-11)12-8-9-14(20)15(21)10-12/h8-10,13,17H,2-7H2,1H3,(H2,22,23,25)
InChIKey AGRPSXWHMDRNFP-UHFFFAOYSA-N
Molecular Weight 397.302 g/mol
SMILES N1C(NC(=C(C1c1cc(c(cc1)Cl)Cl)C(OC1CCCCCC1)=O)C)=O
SPLASH splash10-052f-9310000000-c0325666beebdc76c8a1
Wiley ID 1469641