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Ethyl [2-(4-chlorobenzoylidene)hexahydropyrimidin-1-yl]acetate
SpectraBase Compound ID GIbMZ2PNUUu
InChI InChI=1S/C16H19ClN2O3/c1-2-22-16(21)11-19-9-3-8-18-15(19)10-14(20)12-4-6-13(17)7-5-12/h4-7,10,18H,2-3,8-9,11H2,1H3/b15-10+
InChIKey AIFLFDUPXSIOQO-XNTDXEJSSA-N
Mol Weight 322.79 g/mol
Molecular Formula C16H19ClN2O3
Exact Mass 322.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JycopNGGe
Name Ethyl [2-(4-chlorobenzoylidene)hexahydropyrimidin-1-yl]acetate
Alternate Name(s) Ethyl ((2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]tetrahydro-1(2H)-pyrimidinyl)acetate
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Formula C16H19ClN2O3
InChI InChI=1S/C16H19ClN2O3/c1-2-22-16(21)11-19-9-3-8-18-15(19)10-14(20)12-4-6-13(17)7-5-12/h4-7,10,18H,2-3,8-9,11H2,1H3/b15-10+
InChIKey AIFLFDUPXSIOQO-XNTDXEJSSA-N
Molecular Weight 322.792 g/mol
SMILES N1CCCN(\C1=C/C(c1ccc(cc1)Cl)=O)CC(=O)OCC
SPLASH splash10-00di-5459000000-7d7788b4b7a6696a92a0
Source of Spectrum SO-0-1442-4
Wiley ID 1545433