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(1S,3S,4R,5R)-3-Acetoxy-4-ethyl-5-hydroxy-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID IxWfkoJKGAa
InChI InChI=1S/C12H20O5/c1-4-9-10(14)5-8(12(15)16-3)6-11(9)17-7(2)13/h8-11,14H,4-6H2,1-3H3/t8-,9+,10+,11-/m0/s1
InChIKey FUQRMLNQPPTPTF-ZDCRXTMVSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rWLyc7tNg6
Name (1S,3S,4R,5R)-3-Acetoxy-4-ethyl-5-hydroxy-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (+)-(1R,3S,4S,5R)-5-Acetoxy-3-hydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane (+)-(1S,3R,4R,5S)-5-Acetoxy-3-hydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane (1R,3S,4S,5R)-5-Acetoxy-3-hydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane (1S,3R,4R,5S)-5-Acetoxy-3-hydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane Methyl (1S,3S,4R,5R)-3-(acetyloxy)-4-ethyl-5-hydroxycyclohexanecarboxylate
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Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-4-9-10(14)5-8(12(15)16-3)6-11(9)17-7(2)13/h8-11,14H,4-6H2,1-3H3/t8-,9+,10+,11-/m0/s1
InChIKey FUQRMLNQPPTPTF-ZDCRXTMVSA-N
Molecular Weight 244.287 g/mol
SMILES O[C@]1([C@]([C@](C[C@@](C(=O)OC)(C1)[H])(OC(=O)C)[H])(CC)[H])[H]
SPLASH splash10-002f-0900000000-be47518c25fd4df63a04
Source of Spectrum QC-11-3897-15
Wiley ID 860135