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(1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexanyl acetate
SpectraBase Compound ID DZIftRPzTbP
InChI InChI=1S/C18H25NO4/c1-12-5-10-16(17(11-12)23-13(2)20)18(3,4)14-6-8-15(9-7-14)19(21)22/h6-9,12,16-17H,5,10-11H2,1-4H3/t12-,16-,17-/m1/s1
InChIKey UGAHXAVMZYBPOG-CSMYWGQOSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6LJzERloGZ
Name (1R,2S,5R)-5-Methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexanyl acetate
Alternate Name(s) Acetic acid[(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl]ester Acetic acid[(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl]ester [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl]acetate [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl]acetate [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl]ethanoate Acetic acid [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] ester [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] acetate [(1R,2S,5R)-5-methyl-2-[1-methyl-1-(4-nitrophenyl)ethyl]cyclohexyl] acetate [(1R,2S,5R)-5-methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl] ethanoate
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Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-12-5-10-16(17(11-12)23-13(2)20)18(3,4)14-6-8-15(9-7-14)19(21)22/h6-9,12,16-17H,5,10-11H2,1-4H3/t12-,16-,17-/m1/s1
InChIKey UGAHXAVMZYBPOG-CSMYWGQOSA-N
Molecular Weight 319.401 g/mol
SMILES c1(N(=O)=O)ccc(C([C@]2([C@](OC(=O)C)(C[C@@](CC2)(C)[H])[H])[H])(C)C)cc1
SPLASH splash10-02td-7900000000-ac96ead72f64a6a98fc3
Source of Spectrum J-63-8403-11
Wiley ID 1319419