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(1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID BpShijYjmw8
InChI InChI=1S/C14H17NO5/c1-20-14(17)12-7-6-11(16)8-13(12)9-2-4-10(5-3-9)15(18)19/h2-5,11-13,16H,6-8H2,1H3/t11-,12+,13-/m1/s1
InChIKey HFXNGWFMNLLJFT-FRRDWIJNSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dx0lZZQn50H
Name (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)-1-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)cyclohexanecarboxylic acid methyl ester Methyl (1S,2S,4R)-2-(4-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate Methyl (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)cyclohexane-1-carboxylate Methyl (1S,2S,4R)-4-hydroxy-2-(4-nitrophenyl)cyclohexanecarboxylate
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Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-20-14(17)12-7-6-11(16)8-13(12)9-2-4-10(5-3-9)15(18)19/h2-5,11-13,16H,6-8H2,1H3/t11-,12+,13-/m1/s1
InChIKey HFXNGWFMNLLJFT-FRRDWIJNSA-N
Molecular Weight 279.292 g/mol
SMILES O[C@@]1(CC[C@@]([C@@](c2ccc(N(=O)=O)cc2)(C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0gb9-0970000000-0e432d121c7d2307859d
Source of Spectrum KC-0-507-4
Wiley ID 824371