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5,6-Diphenyl-3-cyclohexyl-2-(tosylimino)-2,3-dihydropyrimidin-4(1H)-one
SpectraBase Compound ID 1jM3Kd1PauF
InChI InChI=1S/C29H29N3O3S/c1-21-17-19-25(20-18-21)36(34,35)31-29-30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)28(33)32(29)24-15-9-4-10-16-24/h2-3,5-8,11-14,17-20,24H,4,9-10,15-16H2,1H3,(H,30,31)
InChIKey FBTRTPPNDHVSLF-UHFFFAOYSA-N
Mol Weight 499.63 g/mol
Molecular Formula C29H29N3O3S
Exact Mass 499.192963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDKaRgaEkXW
Name 5,6-Diphenyl-3-cyclohexyl-2-(tosylimino)-2,3-dihydropyrimidin-4(1H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C29H29N3O3S
InChI InChI=1S/C29H29N3O3S/c1-21-17-19-25(20-18-21)36(34,35)31-29-30-27(23-13-7-3-8-14-23)26(22-11-5-2-6-12-22)28(33)32(29)24-15-9-4-10-16-24/h2-3,5-8,11-14,17-20,24H,4,9-10,15-16H2,1H3,(H,30,31)
InChIKey FBTRTPPNDHVSLF-UHFFFAOYSA-N
Molecular Weight 499.629 g/mol
SMILES N1\C(N(C(C(=C1c1ccccc1)c1ccccc1)=O)C1CCCCC1)=N/S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-0009100000-fe50dbd931802c03fcba
Source of Spectrum KC-0-3076-11
Synonyms N-((2E)-3-cyclohexyl-4-oxo-5,6-diphenyl-3,4-dihydro-2(1H)-pyrimidinylidene)-4-methylbenzenesulfonamide
Wiley ID 826498