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2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methylene]-1,2,3,4,5,6-hexahydropyrimidine
SpectraBase Compound ID 4AB1pOBTr2f
InChI InChI=1S/C22H23ClN2O3/c1-2-28-22(27)18-7-4-3-6-16(18)14-19(21-24-12-5-13-25-21)20(26)15-8-10-17(23)11-9-15/h3-4,6-11,24-25H,2,5,12-14H2,1H3
InChIKey KLLBRGKCFNEGKA-UHFFFAOYSA-N
Mol Weight 398.89 g/mol
Molecular Formula C22H23ClN2O3
Exact Mass 398.13972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Da6jCPVt0CM
Name 2-[(4-Chlorobenzoyl)(2-ethoxycarbonylbenzyl)methylene]-1,2,3,4,5,6-hexahydropyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23ClN2O3
InChI InChI=1S/C22H23ClN2O3/c1-2-28-22(27)18-7-4-3-6-16(18)14-19(21-24-12-5-13-25-21)20(26)15-8-10-17(23)11-9-15/h3-4,6-11,24-25H,2,5,12-14H2,1H3
InChIKey KLLBRGKCFNEGKA-UHFFFAOYSA-N
Molecular Weight 398.890 g/mol
SMILES N1CCCNC1=C(C(c1ccc(cc1)Cl)=O)Cc1c(C(=O)OCC)cccc1
SPLASH splash10-0a4i-0092000000-89bb3818fc5b04e78fad
Source of Spectrum SO-0-526-8
Synonyms Ethyl 2-(3-(4-chlorophenyl)-3-oxo-2-tetrahydro-2(1H)-pyrimidinylidenepropyl)benzoate
Wiley ID 879062