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N-[1-(1-adamantyl)ethyl]-5-[4-(2-fluorobenzoyl)-1-piperazinyl]-2-nitroaniline
SpectraBase Compound ID 4F8Rc9XnFo5
InChI InChI=1S/C29H35FN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-23(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)24-4-2-3-5-25(24)30/h2-7,15,19-22,31H,8-14,16-18H2,1H3
InChIKey XQIAOKSHUYHPTO-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C29H35FN4O3
Exact Mass 506.269319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dwY7T30hoT
Name N-[1-(1-adamantyl)ethyl]-5-[4-(2-fluorobenzoyl)-1-piperazinyl]-2-nitroaniline
Alternate Name(s) N-[1-(1-adamantyl)ethyl]-N-{5-[4-(2-fluorobenzoyl)-1-piperazinyl]-2-nitrophenyl}amine [4-[3-(1-adamantan-1-yl-ethylamino)-4-nitro-phenyl]-piperazin-1-yl]-(2-fluoro-phenyl)-methanone [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]-1-piperazinyl]-(2-fluorophenyl)methanone [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(2-fluorophenyl)methanone [4-[3-[1-(1-adamantyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]-(2-fluorophenyl)methanone
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Formula C29H35FN4O3
InChI InChI=1S/C29H35FN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-23(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)24-4-2-3-5-25(24)30/h2-7,15,19-22,31H,8-14,16-18H2,1H3
InChIKey XQIAOKSHUYHPTO-UHFFFAOYSA-N
Molecular Weight 506.622 g/mol
SMILES N(c1c(N(=O)=O)ccc(N2CCN(C(c3c(F)cccc3)=O)CC2)c1)C(C12CC3CC(C2)CC(C1)C3)C
SPLASH splash10-00di-6902000000-54c8f1d90bb9e072de9b
Wiley ID 1436821