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tert-butyl 4-(2-(methylthio)propanoyl)-3-(5-(p-tolyl)-1H-imidazol-2-yl)piperazine-1-carboxylate
SpectraBase Compound ID E2sb6oC597I
InChI InChI=1S/C23H32N4O3S/c1-15-7-9-17(10-8-15)18-13-24-20(25-18)19-14-26(22(29)30-23(3,4)5)11-12-27(19)21(28)16(2)31-6/h7-10,13,16,19H,11-12,14H2,1-6H3,(H,24,25)
InChIKey AIXYREMRAYMUDV-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C23H32N4O3S
Exact Mass 444.219512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ib9HleAwysi
Name tert-butyl 4-(2-(methylthio)propanoyl)-3-(5-(p-tolyl)-1H-imidazol-2-yl)piperazine-1-carboxylate
Appearance Yellow solid
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Formula C23H32N4O3S
InChI InChI=1S/C23H32N4O3S/c1-15-7-9-17(10-8-15)18-13-24-20(25-18)19-14-26(22(29)30-23(3,4)5)11-12-27(19)21(28)16(2)31-6/h7-10,13,16,19H,11-12,14H2,1-6H3,(H,24,25)
InChIKey AIXYREMRAYMUDV-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 444.594 g/mol
SMILES [nH]1c(cnc1C1CN(C(OC(C)(C)C)=O)CCN1C(C(C)SC)=O)-c1ccc(cc1)C
SPLASH splash10-0a4i-9000000000-c69ea66d10a0b3988977
Source of Spectrum WO2021074281A1
Wiley ID 1880033