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(1R,2S,5S)-2-Furan-3-yl-2-hydroxy-5-methyl-4-oxo-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID AZjBLsXgqVR
InChI InChI=1S/C14H18O5/c1-3-19-13(16)11-6-9(2)12(15)7-14(11,17)10-4-5-18-8-10/h4-5,8-9,11,17H,3,6-7H2,1-2H3/t9-,11-,14+/m0/s1
InChIKey TUHHLIONPPNIOY-NURSFMCSSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5p8WGqtb7XG
Name (1R,2S,5S)-2-Furan-3-yl-2-hydroxy-5-methyl-4-oxo-cyclohexanecarboxylic acid ethyl ester
Alternate Name(s) (1RS,2SR,5SR)-Ethyl 2-(3'-furyl)-2-hydroxy-5-methyl-4-oxocyclohexanecarboxylate Ethyl (1R,2S,5S)-2-(3-furyl)-2-hydroxy-5-methyl-4-oxocyclohexanecarboxylate
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Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-3-19-13(16)11-6-9(2)12(15)7-14(11,17)10-4-5-18-8-10/h4-5,8-9,11,17H,3,6-7H2,1-2H3/t9-,11-,14+/m0/s1
InChIKey TUHHLIONPPNIOY-NURSFMCSSA-N
Molecular Weight 266.293 g/mol
SMILES O[C@@]1([C@@](C[C@@](C(C1)=O)(C)[H])(C(=O)OCC)[H])c1cocc1
SPLASH splash10-0002-9080000000-fecde64ff614447df611
Source of Spectrum KC-1993-1498-16
Wiley ID 778187