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Piperazine, 1-[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]-4-tricyclo[3.3.1.1(3,7)]dec-1-yl-
SpectraBase Compound ID IdscIPnFVan
InChI InChI=1S/C23H36N4OS2/c1-16-20(3-8-29-2)25-22(24-16)30-15-21(28)26-4-6-27(7-5-26)23-12-17-9-18(13-23)11-19(10-17)14-23/h17-19H,3-15H2,1-2H3,(H,24,25)/t17-,18+,19-,23-
InChIKey GACJRCFVPPWUKA-CDIPDJBESA-N
Mol Weight 448.7 g/mol
Molecular Formula C23H36N4OS2
Exact Mass 448.233054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NqJb8GClVQ
Name Piperazine, 1-[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]-4-tricyclo[3.3.1.1(3,7)]dec-1-yl-
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Formula C23H36N4OS2
InChI InChI=1S/C23H36N4OS2/c1-16-20(3-8-29-2)25-22(24-16)30-15-21(28)26-4-6-27(7-5-26)23-12-17-9-18(13-23)11-19(10-17)14-23/h17-19H,3-15H2,1-2H3,(H,24,25)/t17-,18+,19-,23-
InChIKey GACJRCFVPPWUKA-CDIPDJBESA-N
Molecular Weight 448.688 g/mol
SMILES [nH]1c(c(nc1SCC(=O)N1CCN(CC1)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])C)CCSC
SPLASH splash10-03di-3590000000-c3b33507d7a01285943a
Source of Spectrum IY-1-4689-3
Synonyms 1-[4-(1-adamantyl)-1-piperazinyl]-2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]ethanone 1-[4-(1-adamantyl)piperazin-1-yl]-2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]ethanone
Wiley ID 1654876