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2-[1-benzoyl-2-(4-methoxybenzoyl)ethylidene]-1,2,3,4,5,6-hexahydropyrimidine
SpectraBase Compound ID JneDbjZVEpS
InChI InChI=1S/C21H22N2O3/c1-26-17-10-8-15(9-11-17)19(24)14-18(21-22-12-5-13-23-21)20(25)16-6-3-2-4-7-16/h2-4,6-11,22-23H,5,12-14H2,1H3
InChIKey JMSXUIHGLFACEE-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKQE6LEXghP
Name 2-[1-benzoyl-2-(4-methoxybenzoyl)ethylidene]-1,2,3,4,5,6-hexahydropyrimidine
Alternate Name(s) 4-(4-methoxyphenyl)-1-phenyl-2-tetrahydro-2(1H)-pyrimidinylidene-1,4-butanedione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-26-17-10-8-15(9-11-17)19(24)14-18(21-22-12-5-13-23-21)20(25)16-6-3-2-4-7-16/h2-4,6-11,22-23H,5,12-14H2,1H3
InChIKey JMSXUIHGLFACEE-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES N1CCCNC1=C(C(=O)c1ccccc1)CC(c1ccc(cc1)OC)=O
SPLASH splash10-001i-0009000000-ac073a49c8c63e6b1a49
Source of Spectrum SO-0-1442-16
Wiley ID 878099