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(E)-1-(p-Toluenesulfonyl)-2-(4-chlorobenzoylmethylene)hexahydropyrimidine
SpectraBase Compound ID EyaUP3iIEtI
InChI InChI=1S/C19H19ClN2O3S/c1-14-3-9-17(10-4-14)26(24,25)22-12-2-11-21-19(22)13-18(23)15-5-7-16(20)8-6-15/h3-10,13,21H,2,11-12H2,1H3/b19-13+
InChIKey WMJHOCYWWSYIMM-CPNJWEJPSA-N
Mol Weight 390.89 g/mol
Molecular Formula C19H19ClN2O3S
Exact Mass 390.080491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nC0kXYMjcc
Name (E)-1-(p-Toluenesulfonyl)-2-(4-chlorobenzoylmethylene)hexahydropyrimidine
Alternate Name(s) (E)-1-(4-chlorophenyl)-2-(1-tosyltetrahydropyrimidin-2(1H)-ylidene)ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClN2O3S
InChI InChI=1S/C19H19ClN2O3S/c1-14-3-9-17(10-4-14)26(24,25)22-12-2-11-21-19(22)13-18(23)15-5-7-16(20)8-6-15/h3-10,13,21H,2,11-12H2,1H3/b19-13+
InChIKey WMJHOCYWWSYIMM-CPNJWEJPSA-N
Molecular Weight 390.885 g/mol
SMILES N1CCCN(\C1=C/C(c1ccc(cc1)Cl)=O)S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-000j-0951000000-459354fff14d0453fee8
Source of Spectrum HAC-10-300-5d
Wiley ID 1783248