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3-(4'-Nitrophenyl)-4-(2"-tetrahydropyrimidinyl)-5-(4"'-methylphenyl)isoxazole
SpectraBase Compound ID BFq4eeuAcuR
InChI InChI=1S/C20H18N4O3/c1-13-3-5-15(6-4-13)19-17(20-21-11-2-12-22-20)18(23-27-19)14-7-9-16(10-8-14)24(25)26/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKey MHTBLTLYWDUFOM-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C20H18N4O3
Exact Mass 362.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkGf1ZHadpq
Name 3-(4'-Nitrophenyl)-4-(2"-tetrahydropyrimidinyl)-5-(4"'-methylphenyl)isoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C20H18N4O3
InChI InChI=1S/C20H18N4O3/c1-13-3-5-15(6-4-13)19-17(20-21-11-2-12-22-20)18(23-27-19)14-7-9-16(10-8-14)24(25)26/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKey MHTBLTLYWDUFOM-UHFFFAOYSA-N
Molecular Weight 362.389 g/mol
SMILES N1CCCN=C1c1c(onc1-c1ccc(N(=O)=O)cc1)-c1ccc(cc1)C
SPLASH splash10-03di-0009000000-f2304c3f8a104fa34625
Source of Spectrum SK-21-1173-5
Synonyms 2-[5-(4-methylphenyl)-3-(4-nitrophenyl)-4-isoxazolyl]-1,4,5,6-tetrahydropyrimidine 3-(4'-Nitrophenyl)-4-(2''-tetrahydropyrimidinyl)-5-(4'''-methylphenyl)isoxazole
Wiley ID 851689