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1-(adamantan-1-yl)-4-(4-chlorophenyl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-imidazole
SpectraBase Compound ID FJb0BqLUE9F
InChI InChI=1S/C27H28ClN3O3S/c1-34-25-7-2-17(11-24(25)31(32)33)16-35-26-29-23(21-3-5-22(28)6-4-21)15-30(26)27-12-18-8-19(13-27)10-20(9-18)14-27/h2-7,11,15,18-20H,8-10,12-14,16H2,1H3
InChIKey FLYDQTSOEPIKPS-UHFFFAOYSA-N
Mol Weight 510.05 g/mol
Molecular Formula C27H28ClN3O3S
Exact Mass 509.153991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ftac92oLoB
Name 1-(adamantan-1-yl)-4-(4-chlorophenyl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-1H-imidazole
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Formula C27H28ClN3O3S
InChI InChI=1S/C27H28ClN3O3S/c1-34-25-7-2-17(11-24(25)31(32)33)16-35-26-29-23(21-3-5-22(28)6-4-21)15-30(26)27-12-18-8-19(13-27)10-20(9-18)14-27/h2-7,11,15,18-20H,8-10,12-14,16H2,1H3
InChIKey FLYDQTSOEPIKPS-UHFFFAOYSA-N
Molecular Weight 510.052 g/mol
SMILES c1(ccc(-c2nc([n](C34CC5CC(CC(C5)C4)C3)c2)SCc2cc(c(cc2)OC)N(=O)=O)cc1)Cl
SPLASH splash10-000i-4901010000-300d1527134e1c7e6d69
Source of Spectrum IY-2-5086-6
Synonyms 1H-Imidazole, 4-(4-chlorophenyl)-2-[[(4-methoxy-3-nitrophenyl)methyl]thio]-1-tricyclo[3.3.1.1(3,7)]dec-1-yl- 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitrophenyl)methylthio]imidazole 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]imidazole 1-(1-adamantyl)-4-(4-chlorophenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]imidazole
Wiley ID 1658849